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

C10H13F3N4 — CID 83919622

IUPAC2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(n1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C10H13F3N4/c1-6-15-8-4-17(5-10(11,12)13)3-2-7(8)9(14)16-6/h2-5H2,1H3,(H2,14,15,16)
InChIKeyISRSFUUTGHJWRA-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.29
Rot. Bonds1

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

2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 83919622) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID83919622
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(n1)CN(CC(F)(F)F)CC2
InChIInChI=1S/C10H13F3N4/c1-6-15-8-4-17(5-10(11,12)13)3-2-7(8)9(14)16-6/h2-5H2,1H3,(H2,14,15,16)
InChIKeyISRSFUUTGHJWRA-UHFFFAOYSA-N
XLogP1.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine
CID 83919698
2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 166883881
1-(2,2,2-trifluoroethyl)pyrrolidin-3-one
CID 43314819
2-methyl-5,6,8,9-tetrahydrothiepino[4,5-d]pyrimidin-4-amine
CID 83871652
2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 118974407
2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 90062904
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 145225750
5-(2,2,2-trifluoroethyl)-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine
CID 118962480
methyl 2-chloro-6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridine-4-carboxylate
CID 165482936
7-ethyl-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866026
2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 105490423

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 83919622) is 2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is Cc1nc(N)c2c(n1)CN(CC(F)(F)F)CC2.
What is the InChIKey of 2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ISRSFUUTGHJWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-6-15-8-4-17(5-10(11,12)13)3-2-7(8)9(14)16-6/h2-5H2,1H3,(H2,14,15,16).
What are the key properties of 2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 246.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83919622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).