(3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol

C19H24N4O2 — CID 129447486

IUPAC(3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESCc1cc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)nc(-c2ccncc2)n1
InChIInChI=1S/C19H24N4O2/c1-13-11-18(22-19(21-13)14-4-7-20-8-5-14)23-9-2-3-16(23)15-12-25-10-6-17(15)24/h4-5,7-8,11,15-17,24H,2-3,6,9-10,12H2,1H3/t15-,16-,17-/m1/s1
InChIKeyONKGTOMKDJYSAA-BRWVUGGUSA-N
MW340.43 g/mol
LogP2.21
Rot. Bonds3

About (3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol

(3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129447486) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
PubChem CID129447486
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESCc1cc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)nc(-c2ccncc2)n1
InChIInChI=1S/C19H24N4O2/c1-13-11-18(22-19(21-13)14-4-7-20-8-5-14)23-9-2-3-16(23)15-12-25-10-6-17(15)24/h4-5,7-8,11,15-17,24H,2-3,6,9-10,12H2,1H3/t15-,16-,17-/m1/s1
InChIKeyONKGTOMKDJYSAA-BRWVUGGUSA-N
XLogP2.21
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol (CID 129447486) is (3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol is Cc1cc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)nc(-c2ccncc2)n1.
What is the InChIKey of (3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is ONKGTOMKDJYSAA-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-11-18(22-19(21-13)14-4-7-20-8-5-14)23-9-2-3-16(23)15-12-25-10-6-17(15)24/h4-5,7-8,11,15-17,24H,2-3,6,9-10,12H2,1H3/t15-,16-,17-/m1/s1.
What are the key properties of (3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
(3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 340.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129447486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).