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

C14H13F3N4 — CID 59021462

IUPACN-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3c2CCNC3)cc1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)9-1-3-10(4-2-9)21-13-11-5-6-18-7-12(11)19-8-20-13/h1-4,8,18H,5-7H2,(H,19,20,21)
InChIKeyYHFLYGLLHVDOJO-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.88
Rot. Bonds2

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

N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 59021462) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID59021462
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC NameN-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3c2CCNC3)cc1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)9-1-3-10(4-2-9)21-13-11-5-6-18-7-12(11)19-8-20-13/h1-4,8,18H,5-7H2,(H,19,20,21)
InChIKeyYHFLYGLLHVDOJO-UHFFFAOYSA-N
XLogP2.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 59346476
3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol
CID 117101697
4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 66969187
N-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102184
4-[4-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81228729
N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101711
N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine
CID 115144765
4-N-(3,5-dimethylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541066
N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101707
N-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102186
5-iodo-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66341010
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 59021462) is N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2ncnc3c2CCNC3)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is YHFLYGLLHVDOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c15-14(16,17)9-1-3-10(4-2-9)21-13-11-5-6-18-7-12(11)19-8-20-13/h1-4,8,18H,5-7H2,(H,19,20,21).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 294.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59021462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).