6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide

C21H28N4O2 — CID 70862230

IUPAC6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(c1cc(C(=O)Nc2ccc(OC)cc2C)ncn1)C1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-4-25(16-8-6-5-7-9-16)20-13-19(22-14-23-20)21(26)24-18-11-10-17(27-3)12-15(18)2/h10-14,16H,4-9H2,1-3H3,(H,24,26)
InChIKeyIENDLOSQKRKZFN-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.20
Rot. Bonds6

About 6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide

6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 70862230) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID70862230
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(c1cc(C(=O)Nc2ccc(OC)cc2C)ncn1)C1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-4-25(16-8-6-5-7-9-16)20-13-19(22-14-23-20)21(26)24-18-11-10-17(27-3)12-15(18)2/h10-14,16H,4-9H2,1-3H3,(H,24,26)
InChIKeyIENDLOSQKRKZFN-UHFFFAOYSA-N
XLogP4.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(2-methoxyethylamino)sulfanyl-2-methylphenyl]pyrimidine-4-carboxamide
CID 143759110
2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid
CID 59447014
ethyl 4-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]butanoate
CID 67529929
1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357426
N-(2,5-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-4-carboxamide
CID 109352655
5-(ethylamino)-N-(4-methoxy-2-methylphenyl)pyridine-2-carboxamide
CID 104641184
N-(2,4-dimethylphenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109356803
6-chloro-N-cyclohexyl-N-ethylpyrimidin-4-amine
CID 53410294
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353375
N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109359227
N-(2,6-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-4-carboxamide
CID 109352658

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide (CID 70862230) is 6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide is CCN(c1cc(C(=O)Nc2ccc(OC)cc2C)ncn1)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is IENDLOSQKRKZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-25(16-8-6-5-7-9-16)20-13-19(22-14-23-20)21(26)24-18-11-10-17(27-3)12-15(18)2/h10-14,16H,4-9H2,1-3H3,(H,24,26).
What are the key properties of 6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide?
6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(ethyl)amino]-N-(4-methoxy-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 70862230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).