tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine

C45H60F4N12O4 — CID 157261389

About tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine

tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 157261389) has the molecular formula C45H60F4N12O4 and a molecular weight of 909.05 g/mol. Its IUPAC name is tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

• Compound Name: tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine
• PubChem CID: 157261389
• Molecular Formula: C45H60F4N12O4
• Molecular Weight: 909.05 g/mol
• Exact Mass: 908.48
• IUPAC Name: tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine
• SMILES: CC(C)(C)OC(=O)N(c1cc(N2CCOCC2)nc(-n2ccc(C3CC3)n2)n1)C1CCC(F)(F)CC1.FC1(F)CCC(Nc2cc(N3CCOCC3)nc(-n3ccc(C4CC4)n3)n2)CC1
• InChI: InChI=1S/C25H34F2N6O3.C20H26F2N6O/c1-24(2,3)36-23(34)33(18-6-9-25(26,27)10-7-18)21-16-20(31-12-14-35-15-13-31)28-22(29-21)32-11-8-19(30-32)17-4-5-17;21-20(22)6-3-15(4-7-20)23-17-13-18(27-9-11-29-12-10-27)25-19(24-17)28-8-5-16(26-28)14-1-2-14/h8,11,16-18H,4-7,9-10,12-15H2,1-3H3;5,8,13-15H,1-4,6-7,9-12H2,(H,23,24,25)
• InChIKey: AXMRIHVCGWGRBL-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 153.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.05
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine?

The IUPAC name of tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine (CID 157261389) is tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine.

What is the SMILES notation for tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine?

The canonical SMILES for tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine is CC(C)(C)OC(=O)N(c1cc(N2CCOCC2)nc(-n2ccc(C3CC3)n2)n1)C1CCC(F)(F)CC1.FC1(F)CCC(Nc2cc(N3CCOCC3)nc(-n3ccc(C4CC4)n3)n2)CC1.

What is the InChIKey of tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine?

The InChIKey is AXMRIHVCGWGRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2N6O3.C20H26F2N6O/c1-24(2,3)36-23(34)33(18-6-9-25(26,27)10-7-18)21-16-20(31-12-14-35-15-13-31)28-22(29-21)32-11-8-19(30-32)17-4-5-17;21-20(22)6-3-15(4-7-20)23-17-13-18(27-9-11-29-12-10-27)25-19(24-17)28-8-5-16(26-28)14-1-2-14/h8,11,16-18H,4-7,9-10,12-15H2,1-3H3;5,8,13-15H,1-4,6-7,9-12H2,(H,23,24,25).

What are the key properties of tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine?

tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 909.05 g/mol, XLogP of 8.06, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 157261389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).