6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione

C14H26N4O2 — CID 60919883

IUPAC6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(C)CC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O2/c1-6-7-18-12(15)11(13(19)17(5)14(18)20)16-10(4)8-9(2)3/h9-10,16H,6-8,15H2,1-5H3
InChIKeyXUCPKNQRODYFMG-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.39
Rot. Bonds6

About 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione

6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 60919883) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
PubChem CID60919883
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(C)CC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O2/c1-6-7-18-12(15)11(13(19)17(5)14(18)20)16-10(4)8-9(2)3/h9-10,16H,6-8,15H2,1-5H3
InChIKeyXUCPKNQRODYFMG-UHFFFAOYSA-N
XLogP1.39
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 60919996
6-amino-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 61245414
6-amino-3-methyl-5-(3-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 61463422
6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 79246336
6-amino-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106350527
6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 65047999
6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 102699140
6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
CID 60676346
6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106157854
5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
CID 14257879
6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione
CID 115279386
6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106158493

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione (CID 60919883) is 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NC(C)CC(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is XUCPKNQRODYFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-6-7-18-12(15)11(13(19)17(5)14(18)20)16-10(4)8-9(2)3/h9-10,16H,6-8,15H2,1-5H3.
What are the key properties of 6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 282.39 g/mol, XLogP of 1.39, 6 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-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 60919883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).