2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol

C11H19N3O2 — CID 112638162

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
SMILESCOc1cc(C)nc(NC(CO)C(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-7(2)9(6-15)13-11-12-8(3)5-10(14-11)16-4/h5,7,9,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyVPLUPIXMSMQMHT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.22
Rot. Bonds5

About 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 112638162) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID112638162
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
SMILESCOc1cc(C)nc(NC(CO)C(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-7(2)9(6-15)13-11-12-8(3)5-10(14-11)16-4/h5,7,9,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyVPLUPIXMSMQMHT-UHFFFAOYSA-N
XLogP1.22
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-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

2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 113292972
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 114982569
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
CID 112691017
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine
CID 115899319
4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine
CID 115669300
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115644029

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol (CID 112638162) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol is COc1cc(C)nc(NC(CO)C(C)C)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is VPLUPIXMSMQMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)9(6-15)13-11-12-8(3)5-10(14-11)16-4/h5,7,9,15H,6H2,1-4H3,(H,12,13,14).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 112638162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).