(2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone

C19H27N3O3 — CID 72863329

IUPAC(2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C19H27N3O3/c1-13-12-22(7-6-19(13,24)16-4-8-25-9-5-16)18(23)15-10-20-17(21-11-15)14-2-3-14/h10-11,13-14,16,24H,2-9,12H2,1H3/t13-,19+/m1/s1
InChIKeyROBHZVVMBLMITI-YJYMSZOUSA-N
MW345.44 g/mol
LogP1.99
Rot. Bonds3

About (2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone

(2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone (PubChem CID 72863329) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
PubChem CID72863329
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C19H27N3O3/c1-13-12-22(7-6-19(13,24)16-4-8-25-9-5-16)18(23)15-10-20-17(21-11-15)14-2-3-14/h10-11,13-14,16,24H,2-9,12H2,1H3/t13-,19+/m1/s1
InChIKeyROBHZVVMBLMITI-YJYMSZOUSA-N
XLogP1.99
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone (CID 72863329) is (2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone is C[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The InChIKey is ROBHZVVMBLMITI-YJYMSZOUSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-12-22(7-6-19(13,24)16-4-8-25-9-5-16)18(23)15-10-20-17(21-11-15)14-2-3-14/h10-11,13-14,16,24H,2-9,12H2,1H3/t13-,19+/m1/s1.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone has a molecular weight of 345.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72863329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).