N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide

C20H26N4O4 — CID 109250436

IUPACN-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cc(Nc2ncc(C(=O)NC3CCCCC3)cn2)cc(OC)c1OC
InChIInChI=1S/C20H26N4O4/c1-26-16-9-15(10-17(27-2)18(16)28-3)24-20-21-11-13(12-22-20)19(25)23-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyKWSDFZCALCKAJM-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.31
Rot. Bonds7

About N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide

N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109250436) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109250436
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cc(Nc2ncc(C(=O)NC3CCCCC3)cn2)cc(OC)c1OC
InChIInChI=1S/C20H26N4O4/c1-26-16-9-15(10-17(27-2)18(16)28-3)24-20-21-11-13(12-22-20)19(25)23-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyKWSDFZCALCKAJM-UHFFFAOYSA-N
XLogP3.31
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250448
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249701
N-cycloheptyl-2-methoxypyrimidine-5-carboxamide
CID 51364566
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109320007

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide (CID 109250436) is N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide is COc1cc(Nc2ncc(C(=O)NC3CCCCC3)cn2)cc(OC)c1OC.
What is the InChIKey of N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is KWSDFZCALCKAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-26-16-9-15(10-17(27-2)18(16)28-3)24-20-21-11-13(12-22-20)19(25)23-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).