3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide

C12H20N4O2 — CID 136784836

IUPAC3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide
SMILESCC(C)c1nc(NC(C(N)=O)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-6(2)10(11(13)18)14-8-5-9(17)16-12(15-8)7(3)4/h5-7,10H,1-4H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyWXHLMFQDRRSGCE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.82
Rot. Bonds5

About 3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide

3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide (PubChem CID 136784836) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide
PubChem CID136784836
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide
SMILESCC(C)c1nc(NC(C(N)=O)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-6(2)10(11(13)18)14-8-5-9(17)16-12(15-8)7(3)4/h5-7,10H,1-4H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyWXHLMFQDRRSGCE-UHFFFAOYSA-N
XLogP0.82
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetamido-4-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pentanamide
CID 121564567
(7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione
CID 136866921
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604502
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 114581630
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 114584920
N,3-dimethyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanamide
CID 133402979
7-Isopropyl-2-methyl-3,5,7,8-tetrahydro-4,6-pteridinedione
CID 135833894
4-amino-2-(1-amino-2-methylpropyl)-1H-pyrimidin-6-one
CID 136077886
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 136100501
7-Isobutyl-2-methyl-3,5,7,8-tetrahydro-4,6-pteridinedione
CID 136153924
2-amino-6-(4-D-valylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 136663811
N~1~-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-N~2~-methyl-L-alloisoleucinamide
CID 136665307

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide (CID 136784836) is 3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide is CC(C)c1nc(NC(C(N)=O)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide?
The InChIKey is WXHLMFQDRRSGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-6(2)10(11(13)18)14-8-5-9(17)16-12(15-8)7(3)4/h5-7,10H,1-4H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide?
3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide has a molecular weight of 252.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 136784836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).