4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine

C18H24N4O3 — CID 124795341

IUPAC4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESCOCCO[C@@H]1CCN(c2cc(OC)ncn2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C18H24N4O3/c1-23-8-9-25-16-5-7-22(17-11-18(24-2)21-13-20-17)15(16)10-14-4-3-6-19-12-14/h3-4,6,11-13,15-16H,5,7-10H2,1-2H3/t15-,16-/m1/s1
InChIKeyIIFFSMASLOMVBY-HZPDHXFCSA-N
MW344.42 g/mol
LogP1.73
Rot. Bonds8

About 4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine

4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 124795341) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID124795341
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESCOCCO[C@@H]1CCN(c2cc(OC)ncn2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C18H24N4O3/c1-23-8-9-25-16-5-7-22(17-11-18(24-2)21-13-20-17)15(16)10-14-4-3-6-19-12-14/h3-4,6,11-13,15-16H,5,7-10H2,1-2H3/t15-,16-/m1/s1
InChIKeyIIFFSMASLOMVBY-HZPDHXFCSA-N
XLogP1.73
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-1-(6-methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 124796636
(3aR,6aR)-4-(6-methoxypyrimidin-4-yl)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 125188127
3-[[(2R,3R)-1-cyclopropylsulfonyl-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]pyridine
CID 124797335
3-[[(2S,3S)-1-cyclopropylsulfonyl-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]pyridine
CID 97470594
(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
(2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 125236994
3-[[(2S,3S)-3-(2-methoxyethoxy)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridine
CID 97470591
4-[[(2S,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97470218
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
3-[[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
CID 171695847
4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124945029

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine (CID 124795341) is 4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine is COCCO[C@@H]1CCN(c2cc(OC)ncn2)[C@@H]1Cc1cccnc1.
What is the InChIKey of 4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is IIFFSMASLOMVBY-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-23-8-9-25-16-5-7-22(17-11-18(24-2)21-13-20-17)15(16)10-14-4-3-6-19-12-14/h3-4,6,11-13,15-16H,5,7-10H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine?
4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 344.42 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 124795341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).