N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide

C12H19N3O2 — CID 113230939

IUPACN-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC(C)C(C)C)c(=O)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)10(4)14-11(16)7-15-6-5-9(3)13-12(15)17/h5-6,8,10H,7H2,1-4H3,(H,14,16)
InChIKeyWGPMQTGPWIDDBO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds4

About N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide

N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide (PubChem CID 113230939) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
PubChem CID113230939
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC(C)C(C)C)c(=O)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)10(4)14-11(16)7-15-6-5-9(3)13-12(15)17/h5-6,8,10H,7H2,1-4H3,(H,14,16)
InChIKeyWGPMQTGPWIDDBO-UHFFFAOYSA-N
XLogP0.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl(4-butylimino-6-methyl-2-oxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetamide
CID 129791878
2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one
CID 20711607
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium
CID 59976274
2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one;methane
CID 158490253
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;methane;yttrium
CID 158959432
2-(2-Oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
CID 170687595
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)
CID 20711611
2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide
CID 20711612
N-(3-methylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39004583
N-(2-methylbutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39007509
N-[(2R)-3-methylbutan-2-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 40179855
N-[(2S)-3-methylbutan-2-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 40179856

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide (CID 113230939) is N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide is Cc1ccn(CC(=O)NC(C)C(C)C)c(=O)n1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
The InChIKey is WGPMQTGPWIDDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)10(4)14-11(16)7-15-6-5-9(3)13-12(15)17/h5-6,8,10H,7H2,1-4H3,(H,14,16).
What are the key properties of N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide?
N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 113230939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).