N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C23H35N3O3 — CID 146409068

About N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 146409068) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
• PubChem CID: 146409068
• Molecular Formula: C23H35N3O3
• Molecular Weight: 401.55 g/mol
• Exact Mass: 401.27
• IUPAC Name: N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
• SMILES: COCc1cc(C(C)C)nc2c(C(=O)N[C@H]3CCCC(C(C)CCO)C3)ccn12
• InChI: InChI=1S/C23H35N3O3/c1-15(2)21-13-19(14-29-4)26-10-8-20(22(26)25-21)23(28)24-18-7-5-6-17(12-18)16(3)9-11-27/h8,10,13,15-18,27H,5-7,9,11-12,14H2,1-4H3,(H,24,28)/t16?,17?,18-/m0/s1
• InChIKey: MUYUBQMZRVWKPD-ABHNRTSZSA-N
• XLogP: 3.91
• TPSA: 75.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.55
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

The IUPAC name of N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 146409068) is N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

What is the SMILES notation for N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

The canonical SMILES for N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide is COCc1cc(C(C)C)nc2c(C(=O)N[C@H]3CCCC(C(C)CCO)C3)ccn12.

What is the InChIKey of N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

The InChIKey is MUYUBQMZRVWKPD-ABHNRTSZSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-15(2)21-13-19(14-29-4)26-10-8-20(22(26)25-21)23(28)24-18-7-5-6-17(12-18)16(3)9-11-27/h8,10,13,15-18,27H,5-7,9,11-12,14H2,1-4H3,(H,24,28)/t16?,17?,18-/m0/s1.

What are the key properties of N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?

N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-3-(4-hydroxybutan-2-yl)cyclohexyl]-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 146409068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).