N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine

C16H19F3N4O — CID 45176226

IUPACN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine
SMILESCc1cc(CNc2cc(C3CCCNC3)ncn2)c(C(F)(F)F)o1
InChIInChI=1S/C16H19F3N4O/c1-10-5-12(15(24-10)16(17,18)19)8-21-14-6-13(22-9-23-14)11-3-2-4-20-7-11/h5-6,9,11,20H,2-4,7-8H2,1H3,(H,21,22,23)
InChIKeyXDAWWSKTTSROSU-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.48
Rot. Bonds4

About N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine

N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine (PubChem CID 45176226) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine
PubChem CID45176226
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC NameN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine
SMILESCc1cc(CNc2cc(C3CCCNC3)ncn2)c(C(F)(F)F)o1
InChIInChI=1S/C16H19F3N4O/c1-10-5-12(15(24-10)16(17,18)19)8-21-14-6-13(22-9-23-14)11-3-2-4-20-7-11/h5-6,9,11,20H,2-4,7-8H2,1H3,(H,21,22,23)
InChIKeyXDAWWSKTTSROSU-UHFFFAOYSA-N
XLogP3.48
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethylfuran-3-yl)-N-phenylpyrimidin-2-amine
CID 14346996
4-(2,5-dimethylfuran-3-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 14347078
1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 14347134
4-(Furan-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 3233506
6-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3234285
6-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3234344
6-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 3234392
N-benzyl-6-(furan-3-yl)pyrimidin-4-amine
CID 3235488
4-(2,5-dimethylfuran-3-yl)-N-(4-ethylphenyl)pyrimidin-2-amine
CID 14347031
4-(2,5-dimethylfuran-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 14347077
1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 15653054
(2,5-Dimethylfuran-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 26953584

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine (CID 45176226) is N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine is Cc1cc(CNc2cc(C3CCCNC3)ncn2)c(C(F)(F)F)o1.
What is the InChIKey of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is XDAWWSKTTSROSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-10-5-12(15(24-10)16(17,18)19)8-21-14-6-13(22-9-23-14)11-3-2-4-20-7-11/h5-6,9,11,20H,2-4,7-8H2,1H3,(H,21,22,23).
What are the key properties of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine?
N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 340.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-6-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 45176226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).