N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine

C14H22F3N5 — CID 56684485

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN1CCN(C(C)CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H22F3N5/c1-3-21-6-8-22(9-7-21)11(2)10-19-13-18-5-4-12(20-13)14(15,16)17/h4-5,11H,3,6-10H2,1-2H3,(H,18,19,20)
InChIKeyQSJKSHCUOGGCSB-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 56684485) has the molecular formula C14H22F3N5 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID56684485
Molecular FormulaC14H22F3N5
Molecular Weight317.36 g/mol
Exact Mass317.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN1CCN(C(C)CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H22F3N5/c1-3-21-6-8-22(9-7-21)11(2)10-19-13-18-5-4-12(20-13)14(15,16)17/h4-5,11H,3,6-10H2,1-2H3,(H,18,19,20)
InChIKeyQSJKSHCUOGGCSB-UHFFFAOYSA-N
XLogP1.93
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817172
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 90466270
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817034
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817045
2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817165
2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817187
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817193
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817463
2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817504

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 56684485) is N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine is CCN1CCN(C(C)CNc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QSJKSHCUOGGCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5/c1-3-21-6-8-22(9-7-21)11(2)10-19-13-18-5-4-12(20-13)14(15,16)17/h4-5,11H,3,6-10H2,1-2H3,(H,18,19,20).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 317.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 56684485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).