3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide

C12H18N4O2 — CID 136914210

IUPAC3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H18N4O2/c1-13-10(17)5-6-16(2)9-7-11(18)15-12(14-9)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,13,17)(H,14,15,18)
InChIKeyCJKHUAQTUHVDOJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.22
Rot. Bonds5

About 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide

3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 136914210) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID136914210
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H18N4O2/c1-13-10(17)5-6-16(2)9-7-11(18)15-12(14-9)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,13,17)(H,14,15,18)
InChIKeyCJKHUAQTUHVDOJ-UHFFFAOYSA-N
XLogP0.22
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide (CID 136914210) is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is CJKHUAQTUHVDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-10(17)5-6-16(2)9-7-11(18)15-12(14-9)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,13,17)(H,14,15,18).
What are the key properties of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 250.30 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 136914210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).