2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide

C8H11FN4O — CID 115749975

IUPAC2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncc(F)cn1
InChIInChI=1S/C8H11FN4O/c1-5(7(14)10-2)13-8-11-3-6(9)4-12-8/h3-5H,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyKJBIIPMOOZZKDY-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.16
Rot. Bonds3

About 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide

2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide (PubChem CID 115749975) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide
PubChem CID115749975
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncc(F)cn1
InChIInChI=1S/C8H11FN4O/c1-5(7(14)10-2)13-8-11-3-6(9)4-12-8/h3-5H,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyKJBIIPMOOZZKDY-UHFFFAOYSA-N
XLogP0.16
TPSA66.91 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 ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 135042322
(2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol
CID 130680062
5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine
CID 130713087
N-methyl-2-(pyrazin-2-ylamino)propanamide
CID 61064033
N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine
CID 115750251
N-methyl-2-[(5-methyl-2-pyridinyl)amino]propanamide
CID 61467777
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638813
methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate
CID 112703180
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 107372363
2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
CID 104605858
N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine
CID 114382966
2-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]propanoic acid
CID 116975230

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide (CID 115749975) is 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1ncc(F)cn1.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide?
The InChIKey is KJBIIPMOOZZKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c1-5(7(14)10-2)13-8-11-3-6(9)4-12-8/h3-5H,1-2H3,(H,10,14)(H,11,12,13).
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide?
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide has a molecular weight of 198.20 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 115749975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).