6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C15H26N4O2 — CID 61368695

IUPAC6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2(C)CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H26N4O2/c1-10(2)9-19-12(16)11(13(20)18(4)14(19)21)17-15(3)7-5-6-8-15/h10,17H,5-9,16H2,1-4H3
InChIKeyIGNPVFKWGHTOQJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.53
Rot. Bonds4

About 6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 61368695) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID61368695
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2(C)CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H26N4O2/c1-10(2)9-19-12(16)11(13(20)18(4)14(19)21)17-15(3)7-5-6-8-15/h10,17H,5-9,16H2,1-4H3
InChIKeyIGNPVFKWGHTOQJ-UHFFFAOYSA-N
XLogP1.53
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 61368695) is 6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NC2(C)CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is IGNPVFKWGHTOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)9-19-12(16)11(13(20)18(4)14(19)21)17-15(3)7-5-6-8-15/h10,17H,5-9,16H2,1-4H3.
What are the key properties of 6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 294.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 61368695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).