N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C15H17F3N6 — CID 56750366

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nc(CCNc2ncnc3c2CCNC3)n1
InChIInChI=1S/C15H17F3N6/c1-9-6-12(15(16,17)18)24-13(23-9)3-5-20-14-10-2-4-19-7-11(10)21-8-22-14/h6,8,19H,2-5,7H2,1H3,(H,20,21,22)
InChIKeyWIUOXXNBGJHJCC-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.89
Rot. Bonds4

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56750366) has the molecular formula C15H17F3N6 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56750366
Molecular FormulaC15H17F3N6
Molecular Weight338.34 g/mol
Exact Mass338.15
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nc(CCNc2ncnc3c2CCNC3)n1
InChIInChI=1S/C15H17F3N6/c1-9-6-12(15(16,17)18)24-13(23-9)3-5-20-14-10-2-4-19-7-11(10)21-8-22-14/h6,8,19H,2-5,7H2,1H3,(H,20,21,22)
InChIKeyWIUOXXNBGJHJCC-UHFFFAOYSA-N
XLogP1.89
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56746879
N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 56740831
4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56754187
7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 56777988
4-[4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 56870006
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56877579
N-[2-(4,6-Dimethylpyrimidin-2-YL)ethyl]-5-ethylpyrimidin-2-amine
CID 72914146
4-{4-[6-(Trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}-5,6,7,8-tetrahydroquinazoline
CID 126851350
2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456517
2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride
CID 18456518
4-(4-methylpiperazin-1-yl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 44187373
4-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 58333901

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56750366) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is Cc1cc(C(F)(F)F)nc(CCNc2ncnc3c2CCNC3)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is WIUOXXNBGJHJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6/c1-9-6-12(15(16,17)18)24-13(23-9)3-5-20-14-10-2-4-19-7-11(10)21-8-22-14/h6,8,19H,2-5,7H2,1H3,(H,20,21,22).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 338.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56750366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).