(2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol

C15H18N4O2 — CID 124796636

IUPAC(2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESCOc1cc(N2CC[C@@H](O)[C@H]2Cc2cccnc2)ncn1
InChIInChI=1S/C15H18N4O2/c1-21-15-8-14(17-10-18-15)19-6-4-13(20)12(19)7-11-3-2-5-16-9-11/h2-3,5,8-10,12-13,20H,4,6-7H2,1H3/t12-,13-/m1/s1
InChIKeyMTFBXZFOUHUUKT-CHWSQXEVSA-N
MW286.33 g/mol
LogP1.06
Rot. Bonds4

About (2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol

(2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 124796636) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
PubChem CID124796636
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESCOc1cc(N2CC[C@@H](O)[C@H]2Cc2cccnc2)ncn1
InChIInChI=1S/C15H18N4O2/c1-21-15-8-14(17-10-18-15)19-6-4-13(20)12(19)7-11-3-2-5-16-9-11/h2-3,5,8-10,12-13,20H,4,6-7H2,1H3/t12-,13-/m1/s1
InChIKeyMTFBXZFOUHUUKT-CHWSQXEVSA-N
XLogP1.06
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124795341
(3aR,6aR)-4-(6-methoxypyrimidin-4-yl)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 125188127
(3aR,6aS)-1-(6-methoxypyrimidin-4-yl)-4-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124798079
(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470194
4-methoxy-6-(4-pyridin-3-yloxypiperidin-1-yl)pyrimidine
CID 50962504
6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 95140355
1-[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97470514
4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124945029
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97470521
[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97470175
(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 52988001
[1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
CID 66317614

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol (CID 124796636) is (2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol is COc1cc(N2CC[C@@H](O)[C@H]2Cc2cccnc2)ncn1.
What is the InChIKey of (2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is MTFBXZFOUHUUKT-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-15-8-14(17-10-18-15)19-6-4-13(20)12(19)7-11-3-2-5-16-9-11/h2-3,5,8-10,12-13,20H,4,6-7H2,1H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
(2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 286.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 124796636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).