N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C11H18N4O3 — CID 63888728

IUPACN-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-6(2)3-7(4-12)14-9(16)8-5-13-11(18)15-10(8)17/h5-7H,3-4,12H2,1-2H3,(H,14,16)(H2,13,15,17,18)
InChIKeyAGMDTISSHBAMDJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.83
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 63888728) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID63888728
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-6(2)3-7(4-12)14-9(16)8-5-13-11(18)15-10(8)17/h5-7H,3-4,12H2,1-2H3,(H,14,16)(H2,13,15,17,18)
InChIKeyAGMDTISSHBAMDJ-UHFFFAOYSA-N
XLogP-0.83
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 63888728) is N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CC(C)CC(CN)NC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is AGMDTISSHBAMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6(2)3-7(4-12)14-9(16)8-5-13-11(18)15-10(8)17/h5-7H,3-4,12H2,1-2H3,(H,14,16)(H2,13,15,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 63888728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).