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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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).