N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C20H23N3O2 — CID 146409152

IUPACN-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1ccnc2c(C(=O)NCC3CCC(c4ccco4)CC3)ccn12
InChIInChI=1S/C20H23N3O2/c1-14-8-10-21-19-17(9-11-23(14)19)20(24)22-13-15-4-6-16(7-5-15)18-3-2-12-25-18/h2-3,8-12,15-16H,4-7,13H2,1H3,(H,22,24)
InChIKeyGWQBAHOMLHBKDM-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.94
Rot. Bonds4

About N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 146409152) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID146409152
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1ccnc2c(C(=O)NCC3CCC(c4ccco4)CC3)ccn12
InChIInChI=1S/C20H23N3O2/c1-14-8-10-21-19-17(9-11-23(14)19)20(24)22-13-15-4-6-16(7-5-15)18-3-2-12-25-18/h2-3,8-12,15-16H,4-7,13H2,1H3,(H,22,24)
InChIKeyGWQBAHOMLHBKDM-UHFFFAOYSA-N
XLogP3.94
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 146409152) is N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1ccnc2c(C(=O)NCC3CCC(c4ccco4)CC3)ccn12.
What is the InChIKey of N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is GWQBAHOMLHBKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-8-10-21-19-17(9-11-23(14)19)20(24)22-13-15-4-6-16(7-5-15)18-3-2-12-25-18/h2-3,8-12,15-16H,4-7,13H2,1H3,(H,22,24).
What are the key properties of N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 146409152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).