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

C13H13Cl2N5 — CID 24930865

IUPAC7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1ncc2c(n1)CN(Cc1c(Cl)ncnc1Cl)CC2
InChIInChI=1S/C13H13Cl2N5/c1-8-16-4-9-2-3-20(6-11(9)19-8)5-10-12(14)17-7-18-13(10)15/h4,7H,2-3,5-6H2,1H3
InChIKeyYTUCCFFBOCDQMX-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.44
Rot. Bonds2

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

7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930865) has the molecular formula C13H13Cl2N5 and a molecular weight of 310.19 g/mol. Its IUPAC name is 7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930865
Molecular FormulaC13H13Cl2N5
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1ncc2c(n1)CN(Cc1c(Cl)ncnc1Cl)CC2
InChIInChI=1S/C13H13Cl2N5/c1-8-16-4-9-2-3-20(6-11(9)19-8)5-10-12(14)17-7-18-13(10)15/h4,7H,2-3,5-6H2,1H3
InChIKeyYTUCCFFBOCDQMX-UHFFFAOYSA-N
XLogP2.44
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930863
7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930870
2-methyl-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930382
6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928986
6-[(2,6-dichloro-3-pyridinyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916719
2-tert-butyl-7-[(4,6-dichloropyrimidin-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866465
methyl 3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate
CID 24930235
7-[(6-bromo-1H-indol-3-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931180
6-[(2-chloro-3-methoxyphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929133
6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912561
2-tert-butyl-7-[(2,6-dichloro-3-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930699
2-methyl-7-[(6-propan-2-yl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931243

Frequently Asked Questions

What is the IUPAC name of 7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930865) is 7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1ncc2c(n1)CN(Cc1c(Cl)ncnc1Cl)CC2.
What is the InChIKey of 7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is YTUCCFFBOCDQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5/c1-8-16-4-9-2-3-20(6-11(9)19-8)5-10-12(14)17-7-18-13(10)15/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 310.19 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).