2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide

C11H17N5O — CID 80967067

IUPAC2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCNc1cc(NC(C)C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C11H17N5O/c1-6(10(12)17)14-9-5-8(13-2)15-11(16-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H2,12,17)(H2,13,14,15,16)
InChIKeyZOAKVYMJMWOLRD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.68
Rot. Bonds5

About 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide

2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80967067) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80967067
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCNc1cc(NC(C)C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C11H17N5O/c1-6(10(12)17)14-9-5-8(13-2)15-11(16-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H2,12,17)(H2,13,14,15,16)
InChIKeyZOAKVYMJMWOLRD-UHFFFAOYSA-N
XLogP0.68
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80967066
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80967928
2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 129380989
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241630
1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967408
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide
CID 133420673
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80957124
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80961032
2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
CID 80788207
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280746
N-methyl-2-(4-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 55193471
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163235

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide (CID 80967067) is 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide is CNc1cc(NC(C)C(N)=O)nc(C2CC2)n1.
What is the InChIKey of 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is ZOAKVYMJMWOLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-6(10(12)17)14-9-5-8(13-2)15-11(16-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H2,12,17)(H2,13,14,15,16).
What are the key properties of 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide?
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80967067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).