(2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C23H23N9O — CID 175616298

About (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

(2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 175616298) has the molecular formula C23H23N9O and a molecular weight of 441.50 g/mol. Its IUPAC name is (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 175616298
• Molecular Formula: C23H23N9O
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.20
• IUPAC Name: (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccnc([C@H]2CC2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cnc4n3)ncn2)n1
• InChI: InChI=1S/C23H23N9O/c1-13-4-5-24-21(29-13)17-6-18(17)22(33)31-20-7-19(27-12-28-20)25-9-16-11-32-10-15(14-2-3-14)8-26-23(32)30-16/h4-5,7-8,10-12,14,17-18H,2-3,6,9H2,1H3,(H2,25,27,28,31,33)/t17-,18?/m0/s1
• InChIKey: SWBQFBFIZGROMD-ZENAZSQFSA-N
• XLogP: 2.85
• TPSA: 122.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 175616298) is (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc([C@H]2CC2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cnc4n3)ncn2)n1.

What is the InChIKey of (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The InChIKey is SWBQFBFIZGROMD-ZENAZSQFSA-N. The full InChI is InChI=1S/C23H23N9O/c1-13-4-5-24-21(29-13)17-6-18(17)22(33)31-20-7-19(27-12-28-20)25-9-16-11-32-10-15(14-2-3-14)8-26-23(32)30-16/h4-5,7-8,10-12,14,17-18H,2-3,6,9H2,1H3,(H2,25,27,28,31,33)/t17-,18?/m0/s1.

What are the key properties of (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

(2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 175616298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).