2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol

C11H19N3O — CID 79246753

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
SMILESCc1cc(C)nc(NC(CO)C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-7(2)10(6-15)14-11-12-8(3)5-9(4)13-11/h5,7,10,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyPATIHJVWKODQGI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.52
Rot. Bonds4

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol

2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 79246753) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID79246753
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
SMILESCc1cc(C)nc(NC(CO)C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-7(2)10(6-15)14-11-12-8(3)5-9(4)13-11/h5,7,10,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyPATIHJVWKODQGI-UHFFFAOYSA-N
XLogP1.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol (CID 79246753) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol is Cc1cc(C)nc(NC(CO)C(C)C)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is PATIHJVWKODQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)10(6-15)14-11-12-8(3)5-9(4)13-11/h5,7,10,15H,6H2,1-4H3,(H,12,13,14).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79246753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).