6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine

C16H10ClF6N5 — CID 11486999

IUPAC6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
SMILESC[C@H](Nc1nc(-n2cccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C16H10ClF6N5/c1-7(16(21,22)23)25-14-12(11-9(19)5-8(18)6-10(11)20)13(17)26-15(27-14)28-4-2-3-24-28/h2-7H,1H3,(H,25,26,27)/t7-/m0/s1
InChIKeyZCFKAQYTWXJFBD-ZETCQYMHSA-N
MW421.73 g/mol
LogP4.76
Rot. Bonds4

About 6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine

6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine (PubChem CID 11486999) has the molecular formula C16H10ClF6N5 and a molecular weight of 421.73 g/mol. Its IUPAC name is 6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
PubChem CID11486999
Molecular FormulaC16H10ClF6N5
Molecular Weight421.73 g/mol
Exact Mass421.05
IUPAC Name6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
SMILESC[C@H](Nc1nc(-n2cccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C16H10ClF6N5/c1-7(16(21,22)23)25-14-12(11-9(19)5-8(18)6-10(11)20)13(17)26-15(27-14)28-4-2-3-24-28/h2-7H,1H3,(H,25,26,27)/t7-/m0/s1
InChIKeyZCFKAQYTWXJFBD-ZETCQYMHSA-N
XLogP4.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.73
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine (CID 11486999) is 6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine is C[C@H](Nc1nc(-n2cccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F.
What is the InChIKey of 6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine?
The InChIKey is ZCFKAQYTWXJFBD-ZETCQYMHSA-N. The full InChI is InChI=1S/C16H10ClF6N5/c1-7(16(21,22)23)25-14-12(11-9(19)5-8(18)6-10(11)20)13(17)26-15(27-14)28-4-2-3-24-28/h2-7H,1H3,(H,25,26,27)/t7-/m0/s1.
What are the key properties of 6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine?
6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine has a molecular weight of 421.73 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 11486999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).