2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide

C14H24N4O2 — CID 137009906

IUPAC2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)7-15-13(20)8-18(5)11-6-12(19)17-14(16-11)10(3)4/h6,9-10H,7-8H2,1-5H3,(H,15,20)(H,16,17,19)
InChIKeyZCTRLMFDUVJKRG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.10
Rot. Bonds6

About 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide

2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 137009906) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID137009906
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)7-15-13(20)8-18(5)11-6-12(19)17-14(16-11)10(3)4/h6,9-10H,7-8H2,1-5H3,(H,15,20)(H,16,17,19)
InChIKeyZCTRLMFDUVJKRG-UHFFFAOYSA-N
XLogP1.10
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017
4-[cyclopropylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009222
3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016014
2-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016019
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide
CID 113409410
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 137009371
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 102716156
4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009650
3-[ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 137015758
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-prop-2-ynylamino]acetic acid
CID 136959248
4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136958280
4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]benzoic acid
CID 136972403

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide (CID 137009906) is 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is ZCTRLMFDUVJKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)7-15-13(20)8-18(5)11-6-12(19)17-14(16-11)10(3)4/h6,9-10H,7-8H2,1-5H3,(H,15,20)(H,16,17,19).
What are the key properties of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide?
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 137009906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).