6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H22F3N3O — CID 167433204

IUPAC6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc2c(c(OCc3ccc(C(F)(F)F)cc3)n1)CN(CC1CC1)CC2
InChIInChI=1S/C20H22F3N3O/c1-13-24-18-8-9-26(10-14-2-3-14)11-17(18)19(25-13)27-12-15-4-6-16(7-5-15)20(21,22)23/h4-7,14H,2-3,8-12H2,1H3
InChIKeyPZCLGLZGUBUTPC-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.15
Rot. Bonds5

About 6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 167433204) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID167433204
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc2c(c(OCc3ccc(C(F)(F)F)cc3)n1)CN(CC1CC1)CC2
InChIInChI=1S/C20H22F3N3O/c1-13-24-18-8-9-26(10-14-2-3-14)11-17(18)19(25-13)27-12-15-4-6-16(7-5-15)20(21,22)23/h4-7,14H,2-3,8-12H2,1H3
InChIKeyPZCLGLZGUBUTPC-UHFFFAOYSA-N
XLogP4.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 167433204) is 6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nc2c(c(OCc3ccc(C(F)(F)F)cc3)n1)CN(CC1CC1)CC2.
What is the InChIKey of 6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is PZCLGLZGUBUTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-13-24-18-8-9-26(10-14-2-3-14)11-17(18)19(25-13)27-12-15-4-6-16(7-5-15)20(21,22)23/h4-7,14H,2-3,8-12H2,1H3.
What are the key properties of 6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 377.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 167433204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).