4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide

C25H35N5O — CID 91633161

IUPAC4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2nc(C3CC3)nc(CC)c2Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C25H35N5O/c1-5-22-21(16-20-15-17(3)7-8-18(20)4)24(28-23(27-22)19-9-10-19)29-11-13-30(14-12-29)25(31)26-6-2/h7-8,15,19H,5-6,9-14,16H2,1-4H3,(H,26,31)
InChIKeyBQXMSGQNAQVCMF-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.98
Rot. Bonds6

About 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide

4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide (PubChem CID 91633161) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
PubChem CID91633161
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC Name4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2nc(C3CC3)nc(CC)c2Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C25H35N5O/c1-5-22-21(16-20-15-17(3)7-8-18(20)4)24(28-23(27-22)19-9-10-19)29-11-13-30(14-12-29)25(31)26-6-2/h7-8,15,19H,5-6,9-14,16H2,1-4H3,(H,26,31)
InChIKeyBQXMSGQNAQVCMF-UHFFFAOYSA-N
XLogP3.98
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 83283151
[4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 91633125
4-[5-[(2,5-dimethylphenyl)methyl]-6-(methoxymethyl)-2-propan-2-ylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 83282344
4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 83286373
4-[2-cyclopropyl-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 83286342
N-ethyl-4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide
CID 83280659
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
1-[4-[5-[(3-chlorophenyl)methyl]-2-cyclopropyl-6-ethylpyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 83279967
N-benzyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 4199979
1-[4-[2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90488154
N-benzyl-4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 5151861
N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 83282334

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide (CID 91633161) is 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(c2nc(C3CC3)nc(CC)c2Cc2cc(C)ccc2C)CC1.
What is the InChIKey of 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is BQXMSGQNAQVCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O/c1-5-22-21(16-20-15-17(3)7-8-18(20)4)24(28-23(27-22)19-9-10-19)29-11-13-30(14-12-29)25(31)26-6-2/h7-8,15,19H,5-6,9-14,16H2,1-4H3,(H,26,31).
What are the key properties of 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide?
4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 91633161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).