6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

C16H14F3N5O — CID 19146156

IUPAC6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccco2)ncnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)10-3-5-11(6-4-10)24-15-13(20)14(22-9-23-15)21-8-12-2-1-7-25-12/h1-7,9H,8,20H2,(H2,21,22,23,24)
InChIKeyHQMKJWBZSPKQTA-UHFFFAOYSA-N
MW349.32 g/mol
LogP4.03
Rot. Bonds5

About 6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 19146156) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
PubChem CID19146156
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccco2)ncnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)10-3-5-11(6-4-10)24-15-13(20)14(22-9-23-15)21-8-12-2-1-7-25-12/h1-7,9H,8,20H2,(H2,21,22,23,24)
InChIKeyHQMKJWBZSPKQTA-UHFFFAOYSA-N
XLogP4.03
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 19146076
6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 19146084
6-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542878
1-[3-[[5-amino-6-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547437
6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19136939
4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
CID 19146187
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169
4-N-(3,5-dimethylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541066
6-(furan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109346240
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19142691

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (CID 19146156) is 6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is Nc1c(NCc2ccco2)ncnc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is HQMKJWBZSPKQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c17-16(18,19)10-3-5-11(6-4-10)24-15-13(20)14(22-9-23-15)21-8-12-2-1-7-25-12/h1-7,9H,8,20H2,(H2,21,22,23,24).
What are the key properties of 6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 349.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19146156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).