2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid

C18H25N3O2 — CID 68943699

IUPAC2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESCC(C)(C)c1nc2cc(C(=O)O)ncn2c1CC1CCCCC1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)16-14(9-12-7-5-4-6-8-12)21-11-19-13(17(22)23)10-15(21)20-16/h10-12H,4-9H2,1-3H3,(H,22,23)
InChIKeyOHWNHZJISDOOCI-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.85
Rot. Bonds3

About 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid

2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid (PubChem CID 68943699) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
PubChem CID68943699
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESCC(C)(C)c1nc2cc(C(=O)O)ncn2c1CC1CCCCC1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)16-14(9-12-7-5-4-6-8-12)21-11-19-13(17(22)23)10-15(21)20-16/h10-12H,4-9H2,1-3H3,(H,22,23)
InChIKeyOHWNHZJISDOOCI-UHFFFAOYSA-N
XLogP3.85
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid (CID 68943699) is 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid is CC(C)(C)c1nc2cc(C(=O)O)ncn2c1CC1CCCCC1.
What is the InChIKey of 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The InChIKey is OHWNHZJISDOOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)16-14(9-12-7-5-4-6-8-12)21-11-19-13(17(22)23)10-15(21)20-16/h10-12H,4-9H2,1-3H3,(H,22,23).
What are the key properties of 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid has a molecular weight of 315.42 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-c]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 68943699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).