6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H27N7O — CID 145427356

IUPAC6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOC1CCN(c2cc(N3CCc4nc(-c5ncccn5)ncc4C3C)cc(C)n2)C1
InChIInChI=1S/C23H27N7O/c1-15-11-17(12-21(27-15)29-9-5-18(14-29)31-3)30-10-6-20-19(16(30)2)13-26-23(28-20)22-24-7-4-8-25-22/h4,7-8,11-13,16,18H,5-6,9-10,14H2,1-3H3
InChIKeyKEHSLCWHMSOGMV-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.99
Rot. Bonds4

About 6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 145427356) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID145427356
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOC1CCN(c2cc(N3CCc4nc(-c5ncccn5)ncc4C3C)cc(C)n2)C1
InChIInChI=1S/C23H27N7O/c1-15-11-17(12-21(27-15)29-9-5-18(14-29)31-3)30-10-6-20-19(16(30)2)13-26-23(28-20)22-24-7-4-8-25-22/h4,7-8,11-13,16,18H,5-6,9-10,14H2,1-3H3
InChIKeyKEHSLCWHMSOGMV-UHFFFAOYSA-N
XLogP2.99
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381324
6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669791
3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole
CID 175702696
[1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-yl]methanol
CID 139367488
(5S)-6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122681023
4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]-2-(methoxymethyl)morpholine
CID 139381247
6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669949
1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 139367543
6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669681
3-fluoro-5-(5-methoxy-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid
CID 175063613
2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 145427351
2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine
CID 160722853

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 145427356) is 6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COC1CCN(c2cc(N3CCc4nc(-c5ncccn5)ncc4C3C)cc(C)n2)C1.
What is the InChIKey of 6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is KEHSLCWHMSOGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-15-11-17(12-21(27-15)29-9-5-18(14-29)31-3)30-10-6-20-19(16(30)2)13-26-23(28-20)22-24-7-4-8-25-22/h4,7-8,11-13,16,18H,5-6,9-10,14H2,1-3H3.
What are the key properties of 6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 417.52 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 145427356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).