6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione

C14H26N4O3 — CID 106144538

IUPAC6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(C)(C)CCO)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O3/c1-5-7-18-11(15)10(12(20)17(4)13(18)21)16-9-14(2,3)6-8-19/h16,19H,5-9,15H2,1-4H3
InChIKeyQBPXMPOPPLKIDD-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.36
Rot. Bonds7

About 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 106144538) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID106144538
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(C)(C)CCO)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O3/c1-5-7-18-11(15)10(12(20)17(4)13(18)21)16-9-14(2,3)6-8-19/h16,19H,5-9,15H2,1-4H3
InChIKeyQBPXMPOPPLKIDD-UHFFFAOYSA-N
XLogP0.36
TPSA102.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-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-1-butyl-5-(2,2-dimethylbutylamino)-3-methylpyrimidine-2,4-dione
CID 103462651
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]ethylurea
CID 83112782
6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
CID 60676346
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
CID 60677988
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-[(5-hydroxy-4-methylpentyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106158493
6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 102699140
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione
CID 113244340
6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
CID 61362996
6-amino-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106157854
6-amino-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 61245414

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (CID 106144538) is 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC(C)(C)CCO)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is QBPXMPOPPLKIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-5-7-18-11(15)10(12(20)17(4)13(18)21)16-9-14(2,3)6-8-19/h16,19H,5-9,15H2,1-4H3.
What are the key properties of 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 106144538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).