2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol

C13H24N4O — CID 80851320

IUPAC2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCNc1ncc(C)c(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-9(2)6-13(4,18)8-16-11-10(3)7-15-12(14-5)17-11/h7,9,18H,6,8H2,1-5H3,(H2,14,15,16,17)
InChIKeyWHGKMUKFEFGRSN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.04
Rot. Bonds6

About 2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol

2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 80851320) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID80851320
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCNc1ncc(C)c(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-9(2)6-13(4,18)8-16-11-10(3)7-15-12(14-5)17-11/h7,9,18H,6,8H2,1-5H3,(H2,14,15,16,17)
InChIKeyWHGKMUKFEFGRSN-UHFFFAOYSA-N
XLogP2.04
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol (CID 80851320) is 2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol is CNc1ncc(C)c(NCC(C)(O)CC(C)C)n1.
What is the InChIKey of 2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is WHGKMUKFEFGRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)6-13(4,18)8-16-11-10(3)7-15-12(14-5)17-11/h7,9,18H,6,8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol?
2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 80851320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).