5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine

C15H17FN6 — CID 137345709

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc2ccc(CNc3ncc(F)c(N(C)C)n3)cc2[nH]1
InChIInChI=1S/C15H17FN6/c1-9-19-12-5-4-10(6-13(12)20-9)7-17-15-18-8-11(16)14(21-15)22(2)3/h4-6,8H,7H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyDNZKLPAWOXRYOA-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.48
Rot. Bonds4

About 5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 137345709) has the molecular formula C15H17FN6 and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID137345709
Molecular FormulaC15H17FN6
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc2ccc(CNc3ncc(F)c(N(C)C)n3)cc2[nH]1
InChIInChI=1S/C15H17FN6/c1-9-19-12-5-4-10(6-13(12)20-9)7-17-15-18-8-11(16)14(21-15)22(2)3/h4-6,8H,7H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyDNZKLPAWOXRYOA-UHFFFAOYSA-N
XLogP2.48
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 72867046
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115134746
5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine
CID 135103174
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124486
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115126073
6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile
CID 115142944
[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 137336198

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 137345709) is 5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1nc2ccc(CNc3ncc(F)c(N(C)C)n3)cc2[nH]1.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is DNZKLPAWOXRYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6/c1-9-19-12-5-4-10(6-13(12)20-9)7-17-15-18-8-11(16)14(21-15)22(2)3/h4-6,8H,7H2,1-3H3,(H,19,20)(H,17,18,21).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 300.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 137345709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).