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

C10H13F3N4 — CID 114742042

IUPACN,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCN(C)c1nc2c(c(C(F)(F)F)n1)CCNC2
InChIInChI=1S/C10H13F3N4/c1-17(2)9-15-7-5-14-4-3-6(7)8(16-9)10(11,12)13/h14H,3-5H2,1-2H3
InChIKeyFYSNJRBQDJUNDC-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.21
Rot. Bonds1

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

N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 114742042) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID114742042
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC NameN,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCN(C)c1nc2c(c(C(F)(F)F)n1)CCNC2
InChIInChI=1S/C10H13F3N4/c1-17(2)9-15-7-5-14-4-3-6(7)8(16-9)10(11,12)13/h14H,3-5H2,1-2H3
InChIKeyFYSNJRBQDJUNDC-UHFFFAOYSA-N
XLogP1.21
TPSA41.05 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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 114742042) is N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is CN(C)c1nc2c(c(C(F)(F)F)n1)CCNC2.
What is the InChIKey of N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is FYSNJRBQDJUNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-17(2)9-15-7-5-14-4-3-6(7)8(16-9)10(11,12)13/h14H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 114742042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).