N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C17H19F3N4 — CID 142546570

IUPACN,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CCc2c(ncnc2N(C)Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H19F3N4/c1-23-8-7-13-15(10-23)21-11-22-16(13)24(2)9-12-5-3-4-6-14(12)17(18,19)20/h3-6,11H,7-10H2,1-2H3
InChIKeyPWCVXYBKWQTYIS-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.12
Rot. Bonds3

About N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 142546570) has the molecular formula C17H19F3N4 and a molecular weight of 336.36 g/mol. Its IUPAC name is N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID142546570
Molecular FormulaC17H19F3N4
Molecular Weight336.36 g/mol
Exact Mass336.16
IUPAC NameN,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CCc2c(ncnc2N(C)Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H19F3N4/c1-23-8-7-13-15(10-23)21-11-22-16(13)24(2)9-12-5-3-4-6-14(12)17(18,19)20/h3-6,11H,7-10H2,1-2H3
InChIKeyPWCVXYBKWQTYIS-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 142546570) is N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CN1CCc2c(ncnc2N(C)Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is PWCVXYBKWQTYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4/c1-23-8-7-13-15(10-23)21-11-22-16(13)24(2)9-12-5-3-4-6-14(12)17(18,19)20/h3-6,11H,7-10H2,1-2H3.
What are the key properties of N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 336.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 142546570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).