N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide

C18H22N4O — CID 59451925

IUPACN-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc2nccn12
InChIInChI=1S/C18H22N4O/c23-16(15-1-2-19-17-20-3-4-22(15)17)21-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,21,23)
InChIKeyOVLYCERMZYGRLA-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.68
Rot. Bonds3

About N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide

N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide (PubChem CID 59451925) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide
PubChem CID59451925
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc2nccn12
InChIInChI=1S/C18H22N4O/c23-16(15-1-2-19-17-20-3-4-22(15)17)21-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,21,23)
InChIKeyOVLYCERMZYGRLA-UHFFFAOYSA-N
XLogP2.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide (CID 59451925) is N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc2nccn12.
What is the InChIKey of N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide?
The InChIKey is OVLYCERMZYGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-16(15-1-2-19-17-20-3-4-22(15)17)21-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,21,23).
What are the key properties of N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide?
N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 59451925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).