N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C11H16N4O3 — CID 63887984

IUPACN-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESNCC1(NC(=O)c2c[nH]c(=O)[nH]c2=O)CCCC1
InChIInChI=1S/C11H16N4O3/c12-6-11(3-1-2-4-11)15-9(17)7-5-13-10(18)14-8(7)16/h5H,1-4,6,12H2,(H,15,17)(H2,13,14,16,18)
InChIKeyRHXHFYVSLUXDFZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.94
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 63887984) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID63887984
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESNCC1(NC(=O)c2c[nH]c(=O)[nH]c2=O)CCCC1
InChIInChI=1S/C11H16N4O3/c12-6-11(3-1-2-4-11)15-9(17)7-5-13-10(18)14-8(7)16/h5H,1-4,6,12H2,(H,15,17)(H2,13,14,16,18)
InChIKeyRHXHFYVSLUXDFZ-UHFFFAOYSA-N
XLogP-0.94
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 63887984) is N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is NCC1(NC(=O)c2c[nH]c(=O)[nH]c2=O)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RHXHFYVSLUXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-6-11(3-1-2-4-11)15-9(17)7-5-13-10(18)14-8(7)16/h5H,1-4,6,12H2,(H,15,17)(H2,13,14,16,18).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.94, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 63887984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).