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

C19H21F3N4O — CID 167433210

IUPAC6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc2c(c(OCc3ccc(C(F)(F)F)nc3)n1)CN(CC1CC1)CC2
InChIInChI=1S/C19H21F3N4O/c1-12-24-16-6-7-26(9-13-2-3-13)10-15(16)18(25-12)27-11-14-4-5-17(23-8-14)19(20,21)22/h4-5,8,13H,2-3,6-7,9-11H2,1H3
InChIKeySXTBUFNRKRDLAM-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.55
Rot. Bonds5

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

6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 167433210) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID167433210
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc2c(c(OCc3ccc(C(F)(F)F)nc3)n1)CN(CC1CC1)CC2
InChIInChI=1S/C19H21F3N4O/c1-12-24-16-6-7-26(9-13-2-3-13)10-15(16)18(25-12)27-11-14-4-5-17(23-8-14)19(20,21)22/h4-5,8,13H,2-3,6-7,9-11H2,1H3
InChIKeySXTBUFNRKRDLAM-UHFFFAOYSA-N
XLogP3.55
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 167433210) is 6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nc2c(c(OCc3ccc(C(F)(F)F)nc3)n1)CN(CC1CC1)CC2.
What is the InChIKey of 6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is SXTBUFNRKRDLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-12-24-16-6-7-26(9-13-2-3-13)10-15(16)18(25-12)27-11-14-4-5-17(23-8-14)19(20,21)22/h4-5,8,13H,2-3,6-7,9-11H2,1H3.
What are the key properties of 6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 378.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 167433210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).