2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C17H20N4 — CID 24931709

IUPAC2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1cc(CN2CCc3cnc(CC4CC4)nc3C2)ccn1
InChIInChI=1S/C17H20N4/c1-2-13(1)9-17-19-10-15-5-8-21(12-16(15)20-17)11-14-3-6-18-7-4-14/h3-4,6-7,10,13H,1-2,5,8-9,11-12H2
InChIKeyXBVDGMVCEBNRKZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.38
Rot. Bonds4

About 2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931709) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24931709
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1cc(CN2CCc3cnc(CC4CC4)nc3C2)ccn1
InChIInChI=1S/C17H20N4/c1-2-13(1)9-17-19-10-15-5-8-21(12-16(15)20-17)11-14-3-6-18-7-4-14/h3-4,6-7,10,13H,1-2,5,8-9,11-12H2
InChIKeyXBVDGMVCEBNRKZ-UHFFFAOYSA-N
XLogP2.38
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930470
7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153410
2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930974
3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole
CID 24931142
2-pyridin-4-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931692
7-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931195
2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930292
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930328
2-cyclopropyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931636
7-ethyl-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930411
7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931513

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931709) is 2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is c1cc(CN2CCc3cnc(CC4CC4)nc3C2)ccn1.
What is the InChIKey of 2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is XBVDGMVCEBNRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-13(1)9-17-19-10-15-5-8-21(12-16(15)20-17)11-14-3-6-18-7-4-14/h3-4,6-7,10,13H,1-2,5,8-9,11-12H2.
What are the key properties of 2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 280.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).