7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine

C16H14ClF3N6 — CID 58854612

IUPAC7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine
SMILESCc1cc(NCc2ccc(Cl)c(C(F)(F)F)c2)nc2nc(N)nc(N)c12
InChIInChI=1S/C16H14ClF3N6/c1-7-4-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-2-3-10(17)9(5-8)16(18,19)20/h2-5H,6H2,1H3,(H5,21,22,23,24,25,26)
InChIKeyDHHMRLOCAGDIFA-UHFFFAOYSA-N
MW382.78 g/mol
LogP3.78
Rot. Bonds3

About 7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine

7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine (PubChem CID 58854612) has the molecular formula C16H14ClF3N6 and a molecular weight of 382.78 g/mol. Its IUPAC name is 7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine.

Molecular Properties

Compound Name7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine
PubChem CID58854612
Molecular FormulaC16H14ClF3N6
Molecular Weight382.78 g/mol
Exact Mass382.09
IUPAC Name7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine
SMILESCc1cc(NCc2ccc(Cl)c(C(F)(F)F)c2)nc2nc(N)nc(N)c12
InChIInChI=1S/C16H14ClF3N6/c1-7-4-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-2-3-10(17)9(5-8)16(18,19)20/h2-5H,6H2,1H3,(H5,21,22,23,24,25,26)
InChIKeyDHHMRLOCAGDIFA-UHFFFAOYSA-N
XLogP3.78
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine with MolForge

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Related Compounds

CID 5328114
CID 5328114
CID 22667956
CID 22667956
CID 12084396
CID 12084396
CID 12093949
CID 12093949
CID 21100438
CID 21100438
CID 22667942
CID 22667942
CID 5328176
CID 5328176
CID 470175
CID 470175
CID 470177
CID 470177
CID 470179
CID 470179
CID 470266
CID 470266
CID 472850
CID 472850

Frequently Asked Questions

What is the IUPAC name of 7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine?
The IUPAC name of 7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine (CID 58854612) is 7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine.
What is the SMILES notation for 7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine?
The canonical SMILES for 7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine is Cc1cc(NCc2ccc(Cl)c(C(F)(F)F)c2)nc2nc(N)nc(N)c12.
What is the InChIKey of 7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine?
The InChIKey is DHHMRLOCAGDIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N6/c1-7-4-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-2-3-10(17)9(5-8)16(18,19)20/h2-5H,6H2,1H3,(H5,21,22,23,24,25,26).
What are the key properties of 7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine?
7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine has a molecular weight of 382.78 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine is sourced from PubChem (CID 58854612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).