N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C13H14F3N3O — CID 164627594

IUPACN-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCCNc1nc(-c2ccco2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3O/c1-2-3-6-17-12-18-9(10-5-4-7-20-10)8-11(19-12)13(14,15)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyKIXHWXWYUZXHJZ-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.97
Rot. Bonds5

About N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 164627594) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID164627594
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC NameN-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCCNc1nc(-c2ccco2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3O/c1-2-3-6-17-12-18-9(10-5-4-7-20-10)8-11(19-12)13(14,15)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyKIXHWXWYUZXHJZ-UHFFFAOYSA-N
XLogP3.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563224
4-(1,5-dimethylpyrazol-4-yl)-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 44822001
2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine
CID 80952417
4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106659304
N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 627767
4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563363
N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 19621199
N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563258
6-(furan-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945903
N-(2,4-dimethoxyphenyl)-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 1164861
4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)butanamide
CID 3148126
3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl chloride
CID 7017708

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 164627594) is N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CCCCNc1nc(-c2ccco2)cc(C(F)(F)F)n1.
What is the InChIKey of N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KIXHWXWYUZXHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-2-3-6-17-12-18-9(10-5-4-7-20-10)8-11(19-12)13(14,15)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,18,19).
What are the key properties of N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 285.27 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 164627594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).