2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide

C8H11FN4O — CID 103634997

IUPAC2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1ncnc(NC(C)C(N)=O)c1F
InChIInChI=1S/C8H11FN4O/c1-4-6(9)8(12-3-11-4)13-5(2)7(10)14/h3,5H,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeySSWQRVRUIFLOAG-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.21
Rot. Bonds3

About 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide

2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide (PubChem CID 103634997) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide
PubChem CID103634997
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1ncnc(NC(C)C(N)=O)c1F
InChIInChI=1S/C8H11FN4O/c1-4-6(9)8(12-3-11-4)13-5(2)7(10)14/h3,5H,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeySSWQRVRUIFLOAG-UHFFFAOYSA-N
XLogP0.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5H-pteridin-6-one
CID 595562
3-Ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
CID 75379309
Pyrimidine, 4-amino-6-methyl-5-methylformamido-
CID 145618706
2-[Ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 100690449
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
CID 128563070
2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine
CID 67095980
5-Fluoro-4-methyl-6-(piperazin-1-yl)pyrimidine
CID 84039866
5-Fluoro-4-methylpyrimidine-2-carboxamide
CID 118899224
7-(2,2-Difluoroethyl)-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 175954124
(2R)-1-(azetidin-1-yl)-2-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-one
CID 178126673
(2R)-1-(azetidin-1-yl)-2-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-one;trifluoromethanol
CID 178126756

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide (CID 103634997) is 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide is Cc1ncnc(NC(C)C(N)=O)c1F.
What is the InChIKey of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide?
The InChIKey is SSWQRVRUIFLOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c1-4-6(9)8(12-3-11-4)13-5(2)7(10)14/h3,5H,1-2H3,(H2,10,14)(H,11,12,13).
What are the key properties of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide?
2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide has a molecular weight of 198.20 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 103634997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).