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

C25H35N5O — CID 83283151

IUPAC4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCCc1nc(C2CC2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cc(C)ccc1C
InChIInChI=1S/C25H35N5O/c1-6-22-21(16-20-15-17(2)7-8-18(20)3)24(27-23(26-22)19-9-10-19)29-11-13-30(14-12-29)25(31)28(4)5/h7-8,15,19H,6,9-14,16H2,1-5H3
InChIKeyNLTSJOBAGOIWSO-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.93
Rot. Bonds5

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

4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 83283151) 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,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID83283151
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC Name4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCCc1nc(C2CC2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cc(C)ccc1C
InChIInChI=1S/C25H35N5O/c1-6-22-21(16-20-15-17(2)7-8-18(20)3)24(27-23(26-22)19-9-10-19)29-11-13-30(14-12-29)25(31)28(4)5/h7-8,15,19H,6,9-14,16H2,1-5H3
InChIKeyNLTSJOBAGOIWSO-UHFFFAOYSA-N
XLogP3.93
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide (CID 83283151) is 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide is CCc1nc(C2CC2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cc(C)ccc1C.
What is the InChIKey of 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is NLTSJOBAGOIWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O/c1-6-22-21(16-20-15-17(2)7-8-18(20)3)24(27-23(26-22)19-9-10-19)29-11-13-30(14-12-29)25(31)28(4)5/h7-8,15,19H,6,9-14,16H2,1-5H3.
What are the key properties of 4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide?
4-[2-cyclopropyl-5-[(2,5-dimethylphenyl)methyl]-6-ethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 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,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 83283151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).