2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide

C10H12N4O2 — CID 107600321

IUPAC2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
SMILESCOc1cc(C)nc(NC(=O)C(C)C#N)n1
InChIInChI=1S/C10H12N4O2/c1-6(5-11)9(15)14-10-12-7(2)4-8(13-10)16-3/h4,6H,1-3H3,(H,12,13,14,15)
InChIKeyYHQKBBWOJCNLTJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.89
Rot. Bonds3

About 2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide

2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide (PubChem CID 107600321) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
PubChem CID107600321
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
SMILESCOc1cc(C)nc(NC(=O)C(C)C#N)n1
InChIInChI=1S/C10H12N4O2/c1-6(5-11)9(15)14-10-12-7(2)4-8(13-10)16-3/h4,6H,1-3H3,(H,12,13,14,15)
InChIKeyYHQKBBWOJCNLTJ-UHFFFAOYSA-N
XLogP0.89
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600196
(2S)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600159
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107600043
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 107605563
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea
CID 100775447
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600470
N-(4,6-dimethoxypyrimidin-2-yl)-2-phenylpropanamide
CID 71620621
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
CID 112691017
(3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide
CID 107600110
1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide
CID 107600424
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 107602133

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide?
The IUPAC name of 2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide (CID 107600321) is 2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide?
The canonical SMILES for 2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide is COc1cc(C)nc(NC(=O)C(C)C#N)n1.
What is the InChIKey of 2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide?
The InChIKey is YHQKBBWOJCNLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6(5-11)9(15)14-10-12-7(2)4-8(13-10)16-3/h4,6H,1-3H3,(H,12,13,14,15).
What are the key properties of 2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide?
2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide has a molecular weight of 220.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 107600321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).