N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide

C12H18N4O2 — CID 79394556

IUPACN-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide
SMILESCOc1cc(NCCC(=O)NC2CC2)nc(C)n1
InChIInChI=1S/C12H18N4O2/c1-8-14-10(7-12(15-8)18-2)13-6-5-11(17)16-9-3-4-9/h7,9H,3-6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyKMVYMEJRMJTMFP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.87
Rot. Bonds6

About N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide

N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide (PubChem CID 79394556) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide
PubChem CID79394556
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide
SMILESCOc1cc(NCCC(=O)NC2CC2)nc(C)n1
InChIInChI=1S/C12H18N4O2/c1-8-14-10(7-12(15-8)18-2)13-6-5-11(17)16-9-3-4-9/h7,9H,3-6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyKMVYMEJRMJTMFP-UHFFFAOYSA-N
XLogP0.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 78918775
N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80835175
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988
N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80835468
3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66326326
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80545671
N-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]propanamide
CID 79778658
methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylate
CID 115424823
N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide
CID 62625952
N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321580
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427635

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide (CID 79394556) is N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide is COc1cc(NCCC(=O)NC2CC2)nc(C)n1.
What is the InChIKey of N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide?
The InChIKey is KMVYMEJRMJTMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-14-10(7-12(15-8)18-2)13-6-5-11(17)16-9-3-4-9/h7,9H,3-6H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide?
N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 79394556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).