N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C20H24F3N5 — CID 59346447

IUPACN-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCc3ncnc(NCC4CCCCC4)c3C2)nc1
InChIInChI=1S/C20H24F3N5/c21-20(22,23)15-6-7-18(24-11-15)28-9-8-17-16(12-28)19(27-13-26-17)25-10-14-4-2-1-3-5-14/h6-7,11,13-14H,1-5,8-10,12H2,(H,25,26,27)
InChIKeyQYQUCSUUMAXBKA-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.45
Rot. Bonds4

About N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 59346447) has the molecular formula C20H24F3N5 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID59346447
Molecular FormulaC20H24F3N5
Molecular Weight391.44 g/mol
Exact Mass391.20
IUPAC NameN-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCc3ncnc(NCC4CCCCC4)c3C2)nc1
InChIInChI=1S/C20H24F3N5/c21-20(22,23)15-6-7-18(24-11-15)28-9-8-17-16(12-28)19(27-13-26-17)25-10-14-4-2-1-3-5-14/h6-7,11,13-14H,1-5,8-10,12H2,(H,25,26,27)
InChIKeyQYQUCSUUMAXBKA-UHFFFAOYSA-N
XLogP4.45
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183263
N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102200
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
N-(cyclohexylmethyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 46615203
(2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine
CID 171779100
N-[2-(4-chlorophenyl)ethyl]-6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 69010860
N-[2-(4-fluorophenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 69010063
N-(oxolan-2-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbothioamide
CID 46800492
2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
CID 63761657
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142589
6-(5-chloro-2-pyridinyl)-N-[cyclopropyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;ethane
CID 145489919

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 59346447) is N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is FC(F)(F)c1ccc(N2CCc3ncnc(NCC4CCCCC4)c3C2)nc1.
What is the InChIKey of N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is QYQUCSUUMAXBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5/c21-20(22,23)15-6-7-18(24-11-15)28-9-8-17-16(12-28)19(27-13-26-17)25-10-14-4-2-1-3-5-14/h6-7,11,13-14H,1-5,8-10,12H2,(H,25,26,27).
What are the key properties of N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 391.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59346447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).