N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C13H18F3N3 — CID 115486566

IUPACN-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESFC(F)(F)CCCCNc1ncnc2c1CCCC2
InChIInChI=1S/C13H18F3N3/c14-13(15,16)7-3-4-8-17-12-10-5-1-2-6-11(10)18-9-19-12/h9H,1-8H2,(H,17,18,19)
InChIKeyHDQQFHRDKWCCSK-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.50
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 115486566) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID115486566
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESFC(F)(F)CCCCNc1ncnc2c1CCCC2
InChIInChI=1S/C13H18F3N3/c14-13(15,16)7-3-4-8-17-12-10-5-1-2-6-11(10)18-9-19-12/h9H,1-8H2,(H,17,18,19)
InChIKeyHDQQFHRDKWCCSK-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5,5,5-trifluoropentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115486583
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
N-(5-methoxypentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103827520
2-methyl-5-(5,6,7,8-tetrahydroquinazolin-4-ylamino)pentan-1-ol
CID 103858517
N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121312
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2,2-difluoropropan-1-ol
CID 104858582
N-(3-phenoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832621
N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)ethanesulfonamide
CID 102675424
2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine
CID 106143012

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 115486566) is N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine is FC(F)(F)CCCCNc1ncnc2c1CCCC2.
What is the InChIKey of N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is HDQQFHRDKWCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)7-3-4-8-17-12-10-5-1-2-6-11(10)18-9-19-12/h9H,1-8H2,(H,17,18,19).
What are the key properties of N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 273.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 115486566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).