[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate

C22H25N9O4 — CID 130443160

About [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate

[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate (PubChem CID 130443160) has the molecular formula C22H25N9O4 and a molecular weight of 479.50 g/mol. Its IUPAC name is [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate.

Molecular Properties

• Compound Name: [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate
• PubChem CID: 130443160
• Molecular Formula: C22H25N9O4
• Molecular Weight: 479.50 g/mol
• Exact Mass: 479.20
• IUPAC Name: [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate
• SMILES: CCn1ncc(NC(=O)Oc2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCOCC1
• InChI: InChI=1S/C22H25N9O4/c1-2-31-18(21(32)30-5-7-34-8-6-30)17(12-26-31)29-22(33)35-20-19(27-15-9-23-13-24-10-15)25-11-16(28-20)14-3-4-14/h9-14H,2-8H2,1H3,(H,25,27)(H,29,33)
• InChIKey: VSDNCSWHJJTBFR-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 149.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.50
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate?

The IUPAC name of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate (CID 130443160) is [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate.

What is the SMILES notation for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate?

The canonical SMILES for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate is CCn1ncc(NC(=O)Oc2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCOCC1.

What is the InChIKey of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate?

The InChIKey is VSDNCSWHJJTBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O4/c1-2-31-18(21(32)30-5-7-34-8-6-30)17(12-26-31)29-22(33)35-20-19(27-15-9-23-13-24-10-15)25-11-16(28-20)14-3-4-14/h9-14H,2-8H2,1H3,(H,25,27)(H,29,33).

What are the key properties of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate?

[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate has a molecular weight of 479.50 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 130443160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).