N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide

C23H32N4O — CID 109250432

IUPACN-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1ncc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C23H32N4O/c1-15(2)19-11-8-12-20(16(3)4)21(19)27-23-24-13-17(14-25-23)22(28)26-18-9-6-5-7-10-18/h8,11-16,18H,5-7,9-10H2,1-4H3,(H,26,28)(H,24,25,27)
InChIKeyFOVAEMYBGDROCM-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.53
Rot. Bonds6

About N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide

N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 109250432) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide
PubChem CID109250432
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1ncc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C23H32N4O/c1-15(2)19-11-8-12-20(16(3)4)21(19)27-23-24-13-17(14-25-23)22(28)26-18-9-6-5-7-10-18/h8,11-16,18H,5-7,9-10H2,1-4H3,(H,26,28)(H,24,25,27)
InChIKeyFOVAEMYBGDROCM-UHFFFAOYSA-N
XLogP5.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109249626
N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109250365
N-cyclopentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109249624
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109263129
N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]acetamide
CID 108993678
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268366
N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109322195

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide (CID 109250432) is N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide is CC(C)c1cccc(C(C)C)c1Nc1ncc(C(=O)NC2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is FOVAEMYBGDROCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-15(2)19-11-8-12-20(16(3)4)21(19)27-23-24-13-17(14-25-23)22(28)26-18-9-6-5-7-10-18/h8,11-16,18H,5-7,9-10H2,1-4H3,(H,26,28)(H,24,25,27).
What are the key properties of N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide?
N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109250432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).