N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine

C23H30N6 — CID 25158512

IUPACN-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(C(C)(C)C)cc1Nc1ccnc(N2CCC(n3ccnc3)CC2)n1
InChIInChI=1S/C23H30N6/c1-17-5-6-18(23(2,3)4)15-20(17)26-21-7-10-25-22(27-21)28-12-8-19(9-13-28)29-14-11-24-16-29/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,25,26,27)
InChIKeyIMXLTWBGSZRFCV-UHFFFAOYSA-N
MW390.54 g/mol
LogP4.86
Rot. Bonds4

About N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine

N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 25158512) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID25158512
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC NameN-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(C(C)(C)C)cc1Nc1ccnc(N2CCC(n3ccnc3)CC2)n1
InChIInChI=1S/C23H30N6/c1-17-5-6-18(23(2,3)4)15-20(17)26-21-7-10-25-22(27-21)28-12-8-19(9-13-28)29-14-11-24-16-29/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,25,26,27)
InChIKeyIMXLTWBGSZRFCV-UHFFFAOYSA-N
XLogP4.86
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-bromoimidazol-1-yl)piperidin-1-yl]-N-(2,4-dimethyl-5-propan-2-ylphenyl)pyrimidin-4-amine
CID 143736990
N-(5-tert-butyl-2-methylphenyl)-2-[4-(2-imidazol-1-ylethyl)piperidin-1-yl]-7-methylpurin-6-amine
CID 67438299
N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-[4-(triazol-1-yl)piperidin-1-yl]purin-6-amine
CID 67437827
2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine
CID 133368138
N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884073
N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884701
N-(5-tert-butyl-2-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-7-methylpurin-6-amine
CID 67437598
N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-[4-(pyridin-4-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
CID 44816003
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
N-(5-tert-butyl-2-methylphenyl)-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-1-yl]-7-methylpurin-6-amine
CID 67439465
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898168
6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133279862

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine (CID 25158512) is N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine is Cc1ccc(C(C)(C)C)cc1Nc1ccnc(N2CCC(n3ccnc3)CC2)n1.
What is the InChIKey of N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is IMXLTWBGSZRFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-17-5-6-18(23(2,3)4)15-20(17)26-21-7-10-25-22(27-21)28-12-8-19(9-13-28)29-14-11-24-16-29/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,25,26,27).
What are the key properties of N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine?
N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 390.54 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 25158512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).