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

C13H20N4O2 — CID 136713573

IUPAC2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O2/c1-4-17(3)13(19)8(2)14-10-7-11(18)16-12(15-10)9-5-6-9/h7-9H,4-6H2,1-3H3,(H2,14,15,16,18)
InChIKeyMBDWDFGYEVITGE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.93
Rot. Bonds5

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

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 136713573) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID136713573
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N4O2/c1-4-17(3)13(19)8(2)14-10-7-11(18)16-12(15-10)9-5-6-9/h7-9H,4-6H2,1-3H3,(H2,14,15,16,18)
InChIKeyMBDWDFGYEVITGE-UHFFFAOYSA-N
XLogP0.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604502
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 113604528
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 113604565
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 113604582
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113604583
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 114581630
N-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581719
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114581908
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 114581932
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 114584467
N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
CID 114584525

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide (CID 136713573) is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is MBDWDFGYEVITGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-17(3)13(19)8(2)14-10-7-11(18)16-12(15-10)9-5-6-9/h7-9H,4-6H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 136713573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).