4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide

C19H25N3O2 — CID 121120830

IUPAC4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1ncn(CCNC(=O)c2ccc(C(C)(C)C)cc2)c(=O)c1C
InChIInChI=1S/C19H25N3O2/c1-13-14(2)21-12-22(18(13)24)11-10-20-17(23)15-6-8-16(9-7-15)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,23)
InChIKeyUNVPERMCDYKDGU-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.59
Rot. Bonds4

About 4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide

4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide (PubChem CID 121120830) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
PubChem CID121120830
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1ncn(CCNC(=O)c2ccc(C(C)(C)C)cc2)c(=O)c1C
InChIInChI=1S/C19H25N3O2/c1-13-14(2)21-12-22(18(13)24)11-10-20-17(23)15-6-8-16(9-7-15)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,23)
InChIKeyUNVPERMCDYKDGU-UHFFFAOYSA-N
XLogP2.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120714
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]naphthalene-2-carboxamide
CID 121120660
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 121120713
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 121120813
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 121120627
1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121120963
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121120629
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide
CID 121120641
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 121120854
1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121011

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide (CID 121120830) is 4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide is Cc1ncn(CCNC(=O)c2ccc(C(C)(C)C)cc2)c(=O)c1C.
What is the InChIKey of 4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The InChIKey is UNVPERMCDYKDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-14(2)21-12-22(18(13)24)11-10-20-17(23)15-6-8-16(9-7-15)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,23).
What are the key properties of 4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 121120830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).