2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide

C16H19FN4O — CID 133453961

IUPAC2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESCc1cc(NCC(Cc2ccc(F)cc2)C(N)=O)nc(C)n1
InChIInChI=1S/C16H19FN4O/c1-10-7-15(21-11(2)20-10)19-9-13(16(18)22)8-12-3-5-14(17)6-4-12/h3-7,13H,8-9H2,1-2H3,(H2,18,22)(H,19,20,21)
InChIKeyVVNGNVZZCHFCTP-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.99
Rot. Bonds6

About 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide

2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 133453961) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID133453961
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
SMILESCc1cc(NCC(Cc2ccc(F)cc2)C(N)=O)nc(C)n1
InChIInChI=1S/C16H19FN4O/c1-10-7-15(21-11(2)20-10)19-9-13(16(18)22)8-12-3-5-14(17)6-4-12/h3-7,13H,8-9H2,1-2H3,(H2,18,22)(H,19,20,21)
InChIKeyVVNGNVZZCHFCTP-UHFFFAOYSA-N
XLogP1.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95322125
2-[[(5-bromo-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 133453986
(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 97120503
(2R)-2-[(4-fluorophenyl)methyl]-3-[(3-methyl-5-nitroimidazol-4-yl)amino]propanamide
CID 95333169
2-[[(3-cyanopyrazin-2-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 56826029
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95590873
2-[(4-fluorophenyl)methyl]-3-(4-methyl-2-nitroanilino)propanamide
CID 133389578
(2S)-2-[(4-fluorophenyl)methyl]-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 95317473
3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide
CID 133454034
2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 75442225
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
(2R)-2-[(4-fluorophenyl)methyl]-3-(quinazolin-4-ylamino)propanamide
CID 95321688

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide (CID 133453961) is 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide is Cc1cc(NCC(Cc2ccc(F)cc2)C(N)=O)nc(C)n1.
What is the InChIKey of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is VVNGNVZZCHFCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-10-7-15(21-11(2)20-10)19-9-13(16(18)22)8-12-3-5-14(17)6-4-12/h3-7,13H,8-9H2,1-2H3,(H2,18,22)(H,19,20,21).
What are the key properties of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide?
2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 302.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 133453961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).