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

C10H16N4O2 — CID 136784833

IUPAC3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCc1nc(NC(C(N)=O)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-5(2)9(10(11)16)14-7-4-8(15)13-6(3)12-7/h4-5,9H,1-3H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyCRRSINYKYYAINI-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.00
Rot. Bonds4

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

3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (PubChem CID 136784833) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
PubChem CID136784833
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
SMILESCc1nc(NC(C(N)=O)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c1-5(2)9(10(11)16)14-7-4-8(15)13-6(3)12-7/h4-5,9H,1-3H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyCRRSINYKYYAINI-UHFFFAOYSA-N
XLogP0.00
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.00
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-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 114581630
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 114581756
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
7-Isobutyl-2-methyl-3,5,7,8-tetrahydro-4,6-pteridinedione
CID 136153924
N~1~-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}-D-valinamide
CID 136662261
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-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The IUPAC name of 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide (CID 136784833) is 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is Cc1nc(NC(C(N)=O)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
The InChIKey is CRRSINYKYYAINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-5(2)9(10(11)16)14-7-4-8(15)13-6(3)12-7/h4-5,9H,1-3H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide?
3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide has a molecular weight of 224.26 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 136784833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).