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

C15H18F3N7 — CID 56754187

IUPAC4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCc1cc(C(F)(F)F)nc(CCNc2nc(N)nc3c2CCNC3)n1
InChIInChI=1S/C15H18F3N7/c1-8-6-11(15(16,17)18)24-12(22-8)3-5-21-13-9-2-4-20-7-10(9)23-14(19)25-13/h6,20H,2-5,7H2,1H3,(H3,19,21,23,25)
InChIKeyMIWCXKWUKWZYLS-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.48
Rot. Bonds4

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

4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 56754187) has the molecular formula C15H18F3N7 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID56754187
Molecular FormulaC15H18F3N7
Molecular Weight353.35 g/mol
Exact Mass353.16
IUPAC Name4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCc1cc(C(F)(F)F)nc(CCNc2nc(N)nc3c2CCNC3)n1
InChIInChI=1S/C15H18F3N7/c1-8-6-11(15(16,17)18)24-12(22-8)3-5-21-13-9-2-4-20-7-10(9)23-14(19)25-13/h6,20H,2-5,7H2,1H3,(H3,19,21,23,25)
InChIKeyMIWCXKWUKWZYLS-UHFFFAOYSA-N
XLogP1.48
TPSA101.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 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) is 4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is Cc1cc(C(F)(F)F)nc(CCNc2nc(N)nc3c2CCNC3)n1.
What is the InChIKey of 4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is MIWCXKWUKWZYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N7/c1-8-6-11(15(16,17)18)24-12(22-8)3-5-21-13-9-2-4-20-7-10(9)23-14(19)25-13/h6,20H,2-5,7H2,1H3,(H3,19,21,23,25).
What are the key properties of 4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 353.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 56754187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).