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

C19H24N4O2 — CID 129352780

IUPAC(3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESCc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)nc(-c2cccnc2)n1
InChIInChI=1S/C19H24N4O2/c1-13-10-18(22-19(21-13)14-4-2-7-20-11-14)23-8-3-5-16(23)15-12-25-9-6-17(15)24/h2,4,7,10-11,15-17,24H,3,5-6,8-9,12H2,1H3/t15-,16+,17+/m0/s1
InChIKeyZQLSDBXRRKDKAB-GVDBMIGSSA-N
MW340.43 g/mol
LogP2.21
Rot. Bonds3

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

(3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129352780) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
PubChem CID129352780
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESCc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)nc(-c2cccnc2)n1
InChIInChI=1S/C19H24N4O2/c1-13-10-18(22-19(21-13)14-4-2-7-20-11-14)23-8-3-5-16(23)15-12-25-9-6-17(15)24/h2,4,7,10-11,15-17,24H,3,5-6,8-9,12H2,1H3/t15-,16+,17+/m0/s1
InChIKeyZQLSDBXRRKDKAB-GVDBMIGSSA-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

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

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Launch Full Analysis

Related Compounds

(3S,4R)-3-[(2R)-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129447486
cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
CID 97185427
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
(3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129352736
(3S,4R)-3-[(2R)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129352735
(3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129350797
3-cyclopropyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholine
CID 126788219
4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
CID 133344382
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
(3S,4R)-3-[(2S)-1-(6,7-difluoroquinoxalin-2-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129491909
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
(3S,4R)-3-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]oxan-4-ol
CID 129352763

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol (CID 129352780) is (3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol is Cc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)nc(-c2cccnc2)n1.
What is the InChIKey of (3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is ZQLSDBXRRKDKAB-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-10-18(22-19(21-13)14-4-2-7-20-11-14)23-8-3-5-16(23)15-12-25-9-6-17(15)24/h2,4,7,10-11,15-17,24H,3,5-6,8-9,12H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of (3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
(3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-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 (3R,4R)-3-[(2R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129352780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).