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

C21H22N6O — CID 24917193

IUPAC6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cnc(OCC2CC2)c(CN2CCc3nc(-c4cncnc4)ncc3C2)c1
InChIInChI=1S/C21H22N6O/c1-2-16(21(24-6-1)28-13-15-3-4-15)11-27-7-5-19-18(12-27)10-25-20(26-19)17-8-22-14-23-9-17/h1-2,6,8-10,14-15H,3-5,7,11-13H2
InChIKeyINLRDTVCKCJMGN-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.68
Rot. Bonds6

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

6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917193) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24917193
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cnc(OCC2CC2)c(CN2CCc3nc(-c4cncnc4)ncc3C2)c1
InChIInChI=1S/C21H22N6O/c1-2-16(21(24-6-1)28-13-15-3-4-15)11-27-7-5-19-18(12-27)10-25-20(26-19)17-8-22-14-23-9-17/h1-2,6,8-10,14-15H,3-5,7,11-13H2
InChIKeyINLRDTVCKCJMGN-UHFFFAOYSA-N
XLogP2.68
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917187
2-(4-chlorophenyl)-6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917198
6-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916270
2-pyrimidin-5-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915850
2-chloro-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929125
6-[(3-fluoro-4-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915766
6-[(4-methyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917088
2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine
CID 24917130
6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928390
6-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915976
2-pyrimidin-5-yl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917298
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917193) is 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cnc(OCC2CC2)c(CN2CCc3nc(-c4cncnc4)ncc3C2)c1.
What is the InChIKey of 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is INLRDTVCKCJMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-16(21(24-6-1)28-13-15-3-4-15)11-27-7-5-19-18(12-27)10-25-20(26-19)17-8-22-14-23-9-17/h1-2,6,8-10,14-15H,3-5,7,11-13H2.
What are the key properties of 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 374.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).