1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C18H26N6O — CID 128977791

IUPAC1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCc1cc(N2CCCC(O)(c3cn(C(C)C)nn3)C2)nc(C2CC2)n1
InChIInChI=1S/C18H26N6O/c1-12(2)24-10-15(21-22-24)18(25)7-4-8-23(11-18)16-9-13(3)19-17(20-16)14-5-6-14/h9-10,12,14,25H,4-8,11H2,1-3H3
InChIKeyYXMVNHFCVCXHFP-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.32
Rot. Bonds4

About 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 128977791) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID128977791
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCc1cc(N2CCCC(O)(c3cn(C(C)C)nn3)C2)nc(C2CC2)n1
InChIInChI=1S/C18H26N6O/c1-12(2)24-10-15(21-22-24)18(25)7-4-8-23(11-18)16-9-13(3)19-17(20-16)14-5-6-14/h9-10,12,14,25H,4-8,11H2,1-3H3
InChIKeyYXMVNHFCVCXHFP-UHFFFAOYSA-N
XLogP2.32
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-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-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 128977791) is 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is Cc1cc(N2CCCC(O)(c3cn(C(C)C)nn3)C2)nc(C2CC2)n1.
What is the InChIKey of 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is YXMVNHFCVCXHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12(2)24-10-15(21-22-24)18(25)7-4-8-23(11-18)16-9-13(3)19-17(20-16)14-5-6-14/h9-10,12,14,25H,4-8,11H2,1-3H3.
What are the key properties of 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 342.45 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 128977791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).