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

C19H22ClN3 — CID 134794064

IUPAC4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(CC1CC1)CC2
InChIInChI=1S/C19H22ClN3/c1-2-18-21-17-9-10-23(11-13-3-4-13)12-16(17)19(22-18)14-5-7-15(20)8-6-14/h5-8,13H,2-4,9-12H2,1H3
InChIKeyCLYPBRJEIHQBDB-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.13
Rot. Bonds4

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

4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 134794064) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID134794064
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(CC1CC1)CC2
InChIInChI=1S/C19H22ClN3/c1-2-18-21-17-9-10-23(11-13-3-4-13)12-16(17)19(22-18)14-5-7-15(20)8-6-14/h5-8,13H,2-4,9-12H2,1H3
InChIKeyCLYPBRJEIHQBDB-UHFFFAOYSA-N
XLogP4.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 134794064) is 4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(CC1CC1)CC2.
What is the InChIKey of 4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CLYPBRJEIHQBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3/c1-2-18-21-17-9-10-23(11-13-3-4-13)12-16(17)19(22-18)14-5-7-15(20)8-6-14/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 327.86 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(cyclopropylmethyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 134794064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).