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

C18H26N6O — CID 129483665

IUPAC(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCc1cc(N2CCC[C@](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/t18-/m1/s1
InChIKeyYXMVNHFCVCXHFP-GOSISDBHSA-N
MW342.45 g/mol
LogP2.32
Rot. Bonds4

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

(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 129483665) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID129483665
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCc1cc(N2CCC[C@](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/t18-/m1/s1
InChIKeyYXMVNHFCVCXHFP-GOSISDBHSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 129483665) is (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is Cc1cc(N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)nc(C2CC2)n1.
What is the InChIKey of (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is YXMVNHFCVCXHFP-GOSISDBHSA-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/t18-/m1/s1.
What are the key properties of (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
(3R)-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 (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 129483665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).