2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine

C24H27F2N9 — CID 134342391

IUPAC2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(N(C)C5CCNC5)cn4)ncc3F)cc2n1N(C)C
InChIInChI=1S/C24H27F2N9/c1-14-30-23-18(25)9-15(10-20(23)35(14)33(2)3)22-19(26)13-29-24(32-22)31-21-6-5-16(12-28-21)34(4)17-7-8-27-11-17/h5-6,9-10,12-13,17,27H,7-8,11H2,1-4H3,(H,28,29,31,32)
InChIKeyCBKIORDSNYDOMJ-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.21
Rot. Bonds6

About 2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine

2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine (PubChem CID 134342391) has the molecular formula C24H27F2N9 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine
PubChem CID134342391
Molecular FormulaC24H27F2N9
Molecular Weight479.54 g/mol
Exact Mass479.24
IUPAC Name2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(N(C)C5CCNC5)cn4)ncc3F)cc2n1N(C)C
InChIInChI=1S/C24H27F2N9/c1-14-30-23-18(25)9-15(10-20(23)35(14)33(2)3)22-19(26)13-29-24(32-22)31-21-6-5-16(12-28-21)34(4)17-7-8-27-11-17/h5-6,9-10,12-13,17,27H,7-8,11H2,1-4H3,(H,28,29,31,32)
InChIKeyCBKIORDSNYDOMJ-UHFFFAOYSA-N
XLogP3.21
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine with MolForge

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Related Compounds

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-pyrrolidin-3-ylethenyl)-2-pyridinyl]pyrimidin-2-amine
CID 146604476
2-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]ethyl formate
CID 162770784
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrimidin-2-amine
CID 118860128
[(2R)-1-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazin-2-yl]methanol
CID 118859763
1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-ol
CID 118859726
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 118860262
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(1-piperazin-1-ylethenyl)-2-pyridinyl]pyrimidin-2-amine
CID 146604042
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-piperazin-1-ylpropyl]-2-pyridinyl]pyrimidin-2-amine
CID 146603920
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]-2-pyridinyl]pyrimidin-2-amine
CID 146604487
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 166840951
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine
CID 163381263
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(1R)-1-pyrrolidin-1-ylethyl]-2-pyridinyl]pyrimidin-2-amine
CID 146604087

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine?
The IUPAC name of 2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine (CID 134342391) is 2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine is Cc1nc2c(F)cc(-c3nc(Nc4ccc(N(C)C5CCNC5)cn4)ncc3F)cc2n1N(C)C.
What is the InChIKey of 2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine?
The InChIKey is CBKIORDSNYDOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N9/c1-14-30-23-18(25)9-15(10-20(23)35(14)33(2)3)22-19(26)13-29-24(32-22)31-21-6-5-16(12-28-21)34(4)17-7-8-27-11-17/h5-6,9-10,12-13,17,27H,7-8,11H2,1-4H3,(H,28,29,31,32).
What are the key properties of 2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine?
2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine has a molecular weight of 479.54 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[3-(dimethylamino)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5-N-methyl-5-N-pyrrolidin-3-ylpyridine-2,5-diamine is sourced from PubChem (CID 134342391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).