N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide

C21H28N4O3 — CID 109342014

IUPACN-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)NC3CCCCC3)ncn2)cc1OC
InChIInChI=1S/C21H28N4O3/c1-27-18-9-8-15(12-19(18)28-2)10-11-22-20-13-17(23-14-24-20)21(26)25-16-6-4-3-5-7-16/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyXNONUYKZXOZNPS-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.21
Rot. Bonds8

About N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide

N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109342014) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109342014
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)NC3CCCCC3)ncn2)cc1OC
InChIInChI=1S/C21H28N4O3/c1-27-18-9-8-15(12-19(18)28-2)10-11-22-20-13-17(23-14-24-20)21(26)25-16-6-4-3-5-7-16/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyXNONUYKZXOZNPS-UHFFFAOYSA-N
XLogP3.21
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109182948
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510
N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340809
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109346649
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430
N-cyclopentyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109341446
N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109285915
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339467
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108958959

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109342014) is N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide is COc1ccc(CCNc2cc(C(=O)NC3CCCCC3)ncn2)cc1OC.
What is the InChIKey of N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is XNONUYKZXOZNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-18-9-8-15(12-19(18)28-2)10-11-22-20-13-17(23-14-24-20)21(26)25-16-6-4-3-5-7-16/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109342014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).