N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C12H18N4O3 — CID 107172588

IUPACN-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCCNCC1
InChIInChI=1S/C12H18N4O3/c1-16(8-3-2-5-13-6-4-8)11(18)9-7-10(17)15-12(19)14-9/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19)
InChIKeyMOKGANPTMJGILC-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.72
Rot. Bonds2

About N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 107172588) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID107172588
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCCNCC1
InChIInChI=1S/C12H18N4O3/c1-16(8-3-2-5-13-6-4-8)11(18)9-7-10(17)15-12(19)14-9/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19)
InChIKeyMOKGANPTMJGILC-UHFFFAOYSA-N
XLogP-0.72
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide
CID 107172492
N-(azepan-4-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107728861
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 107172410
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 104974741
N-(azepan-4-yl)-4,5-dibromo-N-methylthiophene-2-carboxamide
CID 104974496
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
N-(azepan-4-yl)-2,3-dihydroxy-N-methylbenzamide
CID 107172531
N-(azepan-4-yl)-3-chloro-4-iodo-N-methylbenzamide
CID 104974458
N-(azepan-4-yl)-4-bromo-N,2-dimethylbenzamide
CID 104974736
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104974562

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 107172588) is N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is MOKGANPTMJGILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16(8-3-2-5-13-6-4-8)11(18)9-7-10(17)15-12(19)14-9/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19).
What are the key properties of N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 107172588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).