4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine

C19H22FN5 — CID 58513679

IUPAC4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2ncc(F)c(-n3ccc(CN(C)C)c3)n2)c1
InChIInChI=1S/C19H22FN5/c1-13-7-14(2)9-16(8-13)22-19-21-10-17(20)18(23-19)25-6-5-15(12-25)11-24(3)4/h5-10,12H,11H2,1-4H3,(H,21,22,23)
InChIKeyWUGBZZXTIKERPP-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.83
Rot. Bonds5

About 4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine

4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine (PubChem CID 58513679) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine
PubChem CID58513679
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2ncc(F)c(-n3ccc(CN(C)C)c3)n2)c1
InChIInChI=1S/C19H22FN5/c1-13-7-14(2)9-16(8-13)22-19-21-10-17(20)18(23-19)25-6-5-15(12-25)11-24(3)4/h5-10,12H,11H2,1-4H3,(H,21,22,23)
InChIKeyWUGBZZXTIKERPP-UHFFFAOYSA-N
XLogP3.83
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-[2-(3,5-dimethylanilino)-5-fluoropyrimidin-4-yl]pyrrol-3-yl]methyl]-2,3-dihydropyrrole-4-sulfinic acid
CID 123852470
4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine
CID 53232747
1-[[1-[2-(3,5-dimethylanilino)-5-fluoropyrimidin-4-yl]-4-(furan-3-yl)pyrrol-3-yl]methyl]azetidin-3-ol
CID 53233085
1-[[4-(2,3-dihydrofuran-3-yl)-1-[2-(3,5-dimethylanilino)-5-fluoropyrimidin-4-yl]pyrrol-3-yl]methyl]azetidin-3-ol
CID 70669716
[1-[2-(3,5-dimethylanilino)-5-fluoropyrimidin-4-yl]-3-methylpyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58513647
6-[[2-(3,5-dimethylanilino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 67278368
5-bromo-N-(3,5-dimethylphenyl)-4-[5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-2-amine
CID 70900722
6-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-fluoroquinazolin-2-amine
CID 58499078
5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 63874390
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 58824460
N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 134173031
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060718

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine (CID 58513679) is 4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine is Cc1cc(C)cc(Nc2ncc(F)c(-n3ccc(CN(C)C)c3)n2)c1.
What is the InChIKey of 4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine?
The InChIKey is WUGBZZXTIKERPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-13-7-14(2)9-16(8-13)22-19-21-10-17(20)18(23-19)25-6-5-15(12-25)11-24(3)4/h5-10,12H,11H2,1-4H3,(H,21,22,23).
What are the key properties of 4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine?
4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine has a molecular weight of 339.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 58513679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).