4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine

C16H17F3N4 — CID 83289073

IUPAC4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine
SMILESNc1c(-c2ccc(C(F)(F)F)cc2)ncnc1N1CCCCC1
InChIInChI=1S/C16H17F3N4/c17-16(18,19)12-6-4-11(5-7-12)14-13(20)15(22-10-21-14)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9,20H2
InChIKeyVKRZNOBVCVOLQI-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.73
Rot. Bonds2

About 4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine

4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine (PubChem CID 83289073) has the molecular formula C16H17F3N4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine
PubChem CID83289073
Molecular FormulaC16H17F3N4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine
SMILESNc1c(-c2ccc(C(F)(F)F)cc2)ncnc1N1CCCCC1
InChIInChI=1S/C16H17F3N4/c17-16(18,19)12-6-4-11(5-7-12)14-13(20)15(22-10-21-14)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9,20H2
InChIKeyVKRZNOBVCVOLQI-UHFFFAOYSA-N
XLogP3.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-piperidin-1-ylpyrimidine-4,5-diamine
CID 786539
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19137604
4-(azocan-1-yl)-6-chloropyrimidin-5-amine
CID 62663067
6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine
CID 22543393
4-hydrazinyl-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137338
4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 25129008
1-[5-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 141107722
4-N,4-N-dimethyl-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19136884
4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 122226601
5-nitro-4-piperidin-1-yl-6-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidine
CID 174489179
6-(azepan-1-yl)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19137872
6-(azepan-1-yl)-4-N-(4-bromophenyl)pyrimidine-4,5-diamine
CID 19137871

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine?
The IUPAC name of 4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine (CID 83289073) is 4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine.
What is the SMILES notation for 4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine?
The canonical SMILES for 4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine is Nc1c(-c2ccc(C(F)(F)F)cc2)ncnc1N1CCCCC1.
What is the InChIKey of 4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine?
The InChIKey is VKRZNOBVCVOLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4/c17-16(18,19)12-6-4-11(5-7-12)14-13(20)15(22-10-21-14)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9,20H2.
What are the key properties of 4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine?
4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine has a molecular weight of 322.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine is sourced from PubChem (CID 83289073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).