2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

C12H18N4O2 — CID 136784839

IUPAC2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1cc(=O)[nH]c(C2CC2)n1)C(N)=O
InChIInChI=1S/C12H18N4O2/c1-6(2)10(11(13)18)14-8-5-9(17)16-12(15-8)7-3-4-7/h5-7,10H,3-4H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyNPSHJFXQXPIAKJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.57
Rot. Bonds5

About 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 136784839) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID136784839
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1cc(=O)[nH]c(C2CC2)n1)C(N)=O
InChIInChI=1S/C12H18N4O2/c1-6(2)10(11(13)18)14-8-5-9(17)16-12(15-8)7-3-4-7/h5-7,10H,3-4H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyNPSHJFXQXPIAKJ-UHFFFAOYSA-N
XLogP0.57
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 113604565
N-butan-2-yl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
CID 114584556
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 114584622
7-Isopropyl-2-methyl-3,5,7,8-tetrahydro-4,6-pteridinedione
CID 135833894
N~1~-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-N~2~-methyl-L-alloisoleucinamide
CID 136665307
4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136677203
4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136679994
2-cyclopropyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679996
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713549
N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136713570
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713573
2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726431

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (CID 136784839) is 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is CC(C)C(Nc1cc(=O)[nH]c(C2CC2)n1)C(N)=O.
What is the InChIKey of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is NPSHJFXQXPIAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-6(2)10(11(13)18)14-8-5-9(17)16-12(15-8)7-3-4-7/h5-7,10H,3-4H2,1-2H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 250.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 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]-3-methylbutanamide is sourced from PubChem (CID 136784839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).