2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol

C13H23N3O — CID 113240528

IUPAC2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1cc(NC(C)C(C)CO)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-8(2)13-14-10(4)6-12(16-13)15-11(5)9(3)7-17/h6,8-9,11,17H,7H2,1-5H3,(H,14,15,16)
InChIKeyWACDQXXAEXDXDX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.34
Rot. Bonds5

About 2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol

2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 113240528) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID113240528
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1cc(NC(C)C(C)CO)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-8(2)13-14-10(4)6-12(16-13)15-11(5)9(3)7-17/h6,8-9,11,17H,7H2,1-5H3,(H,14,15,16)
InChIKeyWACDQXXAEXDXDX-UHFFFAOYSA-N
XLogP2.34
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol 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

3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 113484576
N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 79267121
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115644029
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 43419817
6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 113461550
3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 115697086
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923311

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol (CID 113240528) is 2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol is Cc1cc(NC(C)C(C)CO)nc(C(C)C)n1.
What is the InChIKey of 2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is WACDQXXAEXDXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)13-14-10(4)6-12(16-13)15-11(5)9(3)7-17/h6,8-9,11,17H,7H2,1-5H3,(H,14,15,16).
What are the key properties of 2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 113240528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).