6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H25BrN4 — CID 24914264

IUPAC6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CCN(Cc1ccc(-c3ccc(Br)cc3)nc1)C2
InChIInChI=1S/C23H25BrN4/c1-23(2,3)22-26-13-18-15-28(11-10-21(18)27-22)14-16-4-9-20(25-12-16)17-5-7-19(24)8-6-17/h4-9,12-13H,10-11,14-15H2,1-3H3
InChIKeyLBXYPXUXGPWGDB-UHFFFAOYSA-N
MW437.39 g/mol
LogP5.16
Rot. Bonds3

About 6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914264) has the molecular formula C23H25BrN4 and a molecular weight of 437.39 g/mol. Its IUPAC name is 6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914264
Molecular FormulaC23H25BrN4
Molecular Weight437.39 g/mol
Exact Mass436.13
IUPAC Name6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CCN(Cc1ccc(-c3ccc(Br)cc3)nc1)C2
InChIInChI=1S/C23H25BrN4/c1-23(2,3)22-26-13-18-15-28(11-10-21(18)27-22)14-16-4-9-20(25-12-16)17-5-7-19(24)8-6-17/h4-9,12-13H,10-11,14-15H2,1-3H3
InChIKeyLBXYPXUXGPWGDB-UHFFFAOYSA-N
XLogP5.16
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-tert-butyl-6-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914201
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914220
6-[[6-(2-bromophenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914244
6-[[6-(3,5-dibromophenyl)-3-pyridinyl]methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914462
2-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930080
6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913995
6-[[6-(4-methylphenyl)-3-pyridinyl]methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914168
6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914328
6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914472
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914433
2-tert-butyl-6-[(3-chloro-4-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915251

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914264) is 6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)(C)c1ncc2c(n1)CCN(Cc1ccc(-c3ccc(Br)cc3)nc1)C2.
What is the InChIKey of 6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is LBXYPXUXGPWGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4/c1-23(2,3)22-26-13-18-15-28(11-10-21(18)27-22)14-16-4-9-20(25-12-16)17-5-7-19(24)8-6-17/h4-9,12-13H,10-11,14-15H2,1-3H3.
What are the key properties of 6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 437.39 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(4-bromophenyl)-3-pyridinyl]methyl]-2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).