N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C16H20N4O — CID 146038483

IUPACN-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC[C@H]1CC[C@@H]2CCC[C@@H]21)c1cn2cccnc2n1
InChIInChI=1S/C16H20N4O/c21-15(14-10-20-8-2-7-17-16(20)19-14)18-9-12-6-5-11-3-1-4-13(11)12/h2,7-8,10-13H,1,3-6,9H2,(H,18,21)/t11-,12+,13-/m0/s1
InChIKeyMLELKCGDMKFMAA-XQQFMLRXSA-N
MW284.36 g/mol
LogP2.29
Rot. Bonds3

About N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 146038483) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID146038483
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC[C@H]1CC[C@@H]2CCC[C@@H]21)c1cn2cccnc2n1
InChIInChI=1S/C16H20N4O/c21-15(14-10-20-8-2-7-17-16(20)19-14)18-9-12-6-5-11-3-1-4-13(11)12/h2,7-8,10-13H,1,3-6,9H2,(H,18,21)/t11-,12+,13-/m0/s1
InChIKeyMLELKCGDMKFMAA-XQQFMLRXSA-N
XLogP2.29
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111460186
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 99712859
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 94176071
N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 155964502
2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895144
N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111472086
N-[(2,5-dimethylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74247991
N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111480679
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 167788077
N-[2-(4-fluorophenyl)-2-hydroxyethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 110899057
N-[2-(furan-2-yl)-2-hydroxyethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 110899099
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 146038483) is N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NC[C@H]1CC[C@@H]2CCC[C@@H]21)c1cn2cccnc2n1.
What is the InChIKey of N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is MLELKCGDMKFMAA-XQQFMLRXSA-N. The full InChI is InChI=1S/C16H20N4O/c21-15(14-10-20-8-2-7-17-16(20)19-14)18-9-12-6-5-11-3-1-4-13(11)12/h2,7-8,10-13H,1,3-6,9H2,(H,18,21)/t11-,12+,13-/m0/s1.
What are the key properties of N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 146038483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).