1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol

C15H20N4O — CID 56876137

IUPAC1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol
SMILESCCC(O)CNc1nccc(-c2ccc(C)nc2C)n1
InChIInChI=1S/C15H20N4O/c1-4-12(20)9-17-15-16-8-7-14(19-15)13-6-5-10(2)18-11(13)3/h5-8,12,20H,4,9H2,1-3H3,(H,16,17,19)
InChIKeyLCTHPLIPHSCAPZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.34
Rot. Bonds5

About 1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol

1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol (PubChem CID 56876137) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol
PubChem CID56876137
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol
SMILESCCC(O)CNc1nccc(-c2ccc(C)nc2C)n1
InChIInChI=1S/C15H20N4O/c1-4-12(20)9-17-15-16-8-7-14(19-15)13-6-5-10(2)18-11(13)3/h5-8,12,20H,4,9H2,1-3H3,(H,16,17,19)
InChIKeyLCTHPLIPHSCAPZ-UHFFFAOYSA-N
XLogP2.34
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-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 1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol?
The IUPAC name of 1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol (CID 56876137) is 1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol.
What is the SMILES notation for 1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol?
The canonical SMILES for 1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol is CCC(O)CNc1nccc(-c2ccc(C)nc2C)n1.
What is the InChIKey of 1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol?
The InChIKey is LCTHPLIPHSCAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-12(20)9-17-15-16-8-7-14(19-15)13-6-5-10(2)18-11(13)3/h5-8,12,20H,4,9H2,1-3H3,(H,16,17,19).
What are the key properties of 1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol?
1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol has a molecular weight of 272.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]butan-2-ol is sourced from PubChem (CID 56876137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).