N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine

C20H21F3N6 — CID 10294507

IUPACN-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1cc(Nc2nc(-c3ccccc3C(F)(F)F)cc(N3CCCCC3)n2)n[nH]1
InChIInChI=1S/C20H21F3N6/c1-13-11-17(28-27-13)25-19-24-16(12-18(26-19)29-9-5-2-6-10-29)14-7-3-4-8-15(14)20(21,22)23/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H2,24,25,26,27,28)
InChIKeyIGKWOPDPZALAAD-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.93
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine

N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 10294507) has the molecular formula C20H21F3N6 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID10294507
Molecular FormulaC20H21F3N6
Molecular Weight402.42 g/mol
Exact Mass402.18
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1cc(Nc2nc(-c3ccccc3C(F)(F)F)cc(N3CCCCC3)n2)n[nH]1
InChIInChI=1S/C20H21F3N6/c1-13-11-17(28-27-13)25-19-24-16(12-18(26-19)29-9-5-2-6-10-29)14-7-3-4-8-15(14)20(21,22)23/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H2,24,25,26,27,28)
InChIKeyIGKWOPDPZALAAD-UHFFFAOYSA-N
XLogP4.93
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 10294507) is N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine is Cc1cc(Nc2nc(-c3ccccc3C(F)(F)F)cc(N3CCCCC3)n2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is IGKWOPDPZALAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6/c1-13-11-17(28-27-13)25-19-24-16(12-18(26-19)29-9-5-2-6-10-29)14-7-3-4-8-15(14)20(21,22)23/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H2,24,25,26,27,28).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 402.42 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 10294507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).