N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C10H14N4O3 — CID 103352581

IUPACN-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNC1(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCC1
InChIInChI=1S/C10H14N4O3/c11-10(2-1-3-10)5-12-8(16)6-4-7(15)14-9(17)13-6/h4H,1-3,5,11H2,(H,12,16)(H2,13,14,15,17)
InChIKeyFEPOUWMPGKCPGE-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.33
Rot. Bonds3

About N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 103352581) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID103352581
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNC1(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCC1
InChIInChI=1S/C10H14N4O3/c11-10(2-1-3-10)5-12-8(16)6-4-7(15)14-9(17)13-6/h4H,1-3,5,11H2,(H,12,16)(H2,13,14,15,17)
InChIKeyFEPOUWMPGKCPGE-UHFFFAOYSA-N
XLogP-1.33
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dioxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-6-carboxamide
CID 56711486
N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119404378
2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide
CID 62659763
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43341202
N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 119404391
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 115308388
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66002899
N-(4-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114696355
N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114332464
N-(4-azidobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 106386761
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 103352581) is N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is NC1(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is FEPOUWMPGKCPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-10(2-1-3-10)5-12-8(16)6-4-7(15)14-9(17)13-6/h4H,1-3,5,11H2,(H,12,16)(H2,13,14,15,17).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 238.25 g/mol, XLogP of -1.33, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 103352581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).