2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide

C28H34N4O2 — CID 25218718

IUPAC2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(C2CCCCC2)n1
InChIInChI=1S/C28H34N4O2/c1-2-32(21-22-12-6-3-7-13-22)28-30-20-25(26(31-28)23-14-8-4-9-15-23)27(33)29-18-19-34-24-16-10-5-11-17-24/h3,5-7,10-13,16-17,20,23H,2,4,8-9,14-15,18-19,21H2,1H3,(H,29,33)
InChIKeyPBTICVOUOMVVLI-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.36
Rot. Bonds10

About 2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide

2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide (PubChem CID 25218718) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
PubChem CID25218718
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(C2CCCCC2)n1
InChIInChI=1S/C28H34N4O2/c1-2-32(21-22-12-6-3-7-13-22)28-30-20-25(26(31-28)23-14-8-4-9-15-23)27(33)29-18-19-34-24-16-10-5-11-17-24/h3,5-7,10-13,16-17,20,23H,2,4,8-9,14-15,18-19,21H2,1H3,(H,29,33)
InChIKeyPBTICVOUOMVVLI-UHFFFAOYSA-N
XLogP5.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tfc007
CID 16040067
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
1-[4-[4-Amino-5-(2-ethoxybenzoyl)pyrimidin-2-ylamino]piperidin-1-yl]ethanone
CID 11975205
HCAR2 agonist 1
CID 25101223
2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218698
Pyrrolo-pyrimidone, 17
CID 135524085
Cdk7-IN-25
CID 122550796
2-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 11478504
2-(benzylamino)-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218700
2-[benzyl(methyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218701
2-{[(3-methoxyphenyl)methyl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218705

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide (CID 25218718) is 2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide is CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(C2CCCCC2)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide?
The InChIKey is PBTICVOUOMVVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-2-32(21-22-12-6-3-7-13-22)28-30-20-25(26(31-28)23-14-8-4-9-15-23)27(33)29-18-19-34-24-16-10-5-11-17-24/h3,5-7,10-13,16-17,20,23H,2,4,8-9,14-15,18-19,21H2,1H3,(H,29,33).
What are the key properties of 2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide?
2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 25218718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).