4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine

C23H29N5O2 — CID 71085899

About 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine

4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine (PubChem CID 71085899) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine.

Molecular Properties

• Compound Name: 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine
• PubChem CID: 71085899
• Molecular Formula: C23H29N5O2
• Molecular Weight: 407.52 g/mol
• Exact Mass: 407.23
• IUPAC Name: 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine
• SMILES: COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(CCC(C)C)c2)nc1
• InChI: InChI=1S/C23H29N5O2/c1-15(2)7-8-28-13-18(10-26-28)21-12-24-16(3)27-23(21)30-14-17-9-20(17)22-6-5-19(29-4)11-25-22/h5-6,10-13,15,17,20H,7-9,14H2,1-4H3/t17-,20+/m1/s1
• InChIKey: UCZOKVFJTVRRRC-XLIONFOSSA-N
• XLogP: 4.28
• TPSA: 74.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.52
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine?

The IUPAC name of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine (CID 71085899) is 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine.

What is the SMILES notation for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine?

The canonical SMILES for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(CCC(C)C)c2)nc1.

What is the InChIKey of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine?

The InChIKey is UCZOKVFJTVRRRC-XLIONFOSSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15(2)7-8-28-13-18(10-26-28)21-12-24-16(3)27-23(21)30-14-17-9-20(17)22-6-5-19(29-4)11-25-22/h5-6,10-13,15,17,20H,7-9,14H2,1-4H3/t17-,20+/m1/s1.

What are the key properties of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine?

4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine has a molecular weight of 407.52 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 71085899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).