6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide

C36H47ClF6N12O4S2 — CID 157178919

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide

6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide (PubChem CID 157178919) has the molecular formula C36H47ClF6N12O4S2 and a molecular weight of 925.43 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide
• PubChem CID: 157178919
• Molecular Formula: C36H47ClF6N12O4S2
• Molecular Weight: 925.43 g/mol
• Exact Mass: 924.29
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide
• SMILES: FCc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.O=S1(=O)CCN(c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)n2)CC1.O=S1(=O)CCNCC1
• InChI: InChI=1S/C18H23F3N6O2S.C14H15ClF3N5.C4H9NO2S/c19-12-14-3-6-27(25-14)17-23-15(22-13-1-4-18(20,21)5-2-13)11-16(24-17)26-7-9-30(28,29)10-8-26;15-11-7-12(19-9-1-4-14(17,18)5-2-9)21-13(20-11)23-6-3-10(8-16)22-23;6-8(7)3-1-5-2-4-8/h3,6,11,13H,1-2,4-5,7-10,12H2,(H,22,23,24);3,6-7,9H,1-2,4-5,8H2,(H,19,20,21);5H,1-4H2
• InChIKey: AOIQDYBRBPBYOZ-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 194.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.43
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide (CID 157178919) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide.

What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide?

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide is FCc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.O=S1(=O)CCN(c2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)n2)CC1.O=S1(=O)CCNCC1.

What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide?

The InChIKey is AOIQDYBRBPBYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O2S.C14H15ClF3N5.C4H9NO2S/c19-12-14-3-6-27(25-14)17-23-15(22-13-1-4-18(20,21)5-2-13)11-16(24-17)26-7-9-30(28,29)10-8-26;15-11-7-12(19-9-1-4-14(17,18)5-2-9)21-13(20-11)23-6-3-10(8-16)22-23;6-8(7)3-1-5-2-4-8/h3,6,11,13H,1-2,4-5,7-10,12H2,(H,22,23,24);3,6-7,9H,1-2,4-5,8H2,(H,19,20,21);5H,1-4H2.

What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide?

6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide has a molecular weight of 925.43 g/mol, XLogP of 5.14, 9 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 157178919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).