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

C12H21N3O2 — CID 114177062

IUPAC3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCOc1cc(NC(CCO)C(C)C)nc(C)n1
InChIInChI=1S/C12H21N3O2/c1-8(2)10(5-6-16)15-11-7-12(17-4)14-9(3)13-11/h7-8,10,16H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyTZLILAJKRNHRDH-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.61
Rot. Bonds6

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

3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 114177062) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID114177062
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCOc1cc(NC(CCO)C(C)C)nc(C)n1
InChIInChI=1S/C12H21N3O2/c1-8(2)10(5-6-16)15-11-7-12(17-4)14-9(3)13-11/h7-8,10,16H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyTZLILAJKRNHRDH-UHFFFAOYSA-N
XLogP1.61
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 66324648
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352561
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
CID 106352536
N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66325089
1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 66325490
6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 66325049

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 114177062) is 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is COc1cc(NC(CCO)C(C)C)nc(C)n1.
What is the InChIKey of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is TZLILAJKRNHRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)10(5-6-16)15-11-7-12(17-4)14-9(3)13-11/h7-8,10,16H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 114177062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).