(3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

C19H20N6O — CID 155501660

IUPAC(3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESCc1cc(N2C[C@@H](Cc3cnccn3)[C@H](O)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H20N6O/c1-13-7-18(24-19(23-13)14-3-2-4-20-9-14)25-11-15(17(26)12-25)8-16-10-21-5-6-22-16/h2-7,9-10,15,17,26H,8,11-12H2,1H3/t15-,17-/m1/s1
InChIKeyFZYBNNCMXQFXNF-NVXWUHKLSA-N
MW348.41 g/mol
LogP1.68
Rot. Bonds4

About (3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 155501660) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID155501660
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESCc1cc(N2C[C@@H](Cc3cnccn3)[C@H](O)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H20N6O/c1-13-7-18(24-19(23-13)14-3-2-4-20-9-14)25-11-15(17(26)12-25)8-16-10-21-5-6-22-16/h2-7,9-10,15,17,26H,8,11-12H2,1H3/t15-,17-/m1/s1
InChIKeyFZYBNNCMXQFXNF-NVXWUHKLSA-N
XLogP1.68
TPSA87.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol with MolForge

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Related Compounds

cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
CID 97185427
(3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 166619181
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
(3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 155492969
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
CID 133497431
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554
(3S,4S)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-phenylpiperidine-3,4-diol
CID 162630664
(3S,4R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 155505600
4-(4-but-3-ynylpiperazin-1-yl)-6-methyl-2-pyridin-3-ylpyrimidine
CID 133276430
4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (CID 155501660) is (3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is Cc1cc(N2C[C@@H](Cc3cnccn3)[C@H](O)C2)nc(-c2cccnc2)n1.
What is the InChIKey of (3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is FZYBNNCMXQFXNF-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-7-18(24-19(23-13)14-3-2-4-20-9-14)25-11-15(17(26)12-25)8-16-10-21-5-6-22-16/h2-7,9-10,15,17,26H,8,11-12H2,1H3/t15-,17-/m1/s1.
What are the key properties of (3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 348.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 155501660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).