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

C18H11ClF6N4 — CID 11293409

IUPAC6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
SMILESC[C@H](Nc1nc(-c2ccccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C18H11ClF6N4/c1-8(18(23,24)25)27-17-14(13-10(21)6-9(20)7-11(13)22)15(19)28-16(29-17)12-4-2-3-5-26-12/h2-8H,1H3,(H,27,28,29)/t8-/m0/s1
InChIKeyKNFWEQCTFQIEMA-QMMMGPOBSA-N
MW432.76 g/mol
LogP5.64
Rot. Bonds4

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

6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine (PubChem CID 11293409) has the molecular formula C18H11ClF6N4 and a molecular weight of 432.76 g/mol. Its IUPAC name is 6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
PubChem CID11293409
Molecular FormulaC18H11ClF6N4
Molecular Weight432.76 g/mol
Exact Mass432.06
IUPAC Name6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
SMILESC[C@H](Nc1nc(-c2ccccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C18H11ClF6N4/c1-8(18(23,24)25)27-17-14(13-10(21)6-9(20)7-11(13)22)15(19)28-16(29-17)12-4-2-3-5-26-12/h2-8H,1H3,(H,27,28,29)/t8-/m0/s1
InChIKeyKNFWEQCTFQIEMA-QMMMGPOBSA-N
XLogP5.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.76
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine (CID 11293409) is 6-chloro-2-pyridin-2-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-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine is C[C@H](Nc1nc(-c2ccccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F.
What is the InChIKey of 6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine?
The InChIKey is KNFWEQCTFQIEMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C18H11ClF6N4/c1-8(18(23,24)25)27-17-14(13-10(21)6-9(20)7-11(13)22)15(19)28-16(29-17)12-4-2-3-5-26-12/h2-8H,1H3,(H,27,28,29)/t8-/m0/s1.
What are the key properties of 6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine?
6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine has a molecular weight of 432.76 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 11293409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).