N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide

C19H23N5O2 — CID 139268010

IUPACN-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
SMILESCCc1ccc(C(C)NC(=O)C2CC(=O)NC(c3ncccn3)N2)cc1
InChIInChI=1S/C19H23N5O2/c1-3-13-5-7-14(8-6-13)12(2)22-19(26)15-11-16(25)24-18(23-15)17-20-9-4-10-21-17/h4-10,12,15,18,23H,3,11H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyVAXXQOWXBPHEMB-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.39
Rot. Bonds5

About N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide

N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide (PubChem CID 139268010) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
PubChem CID139268010
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
SMILESCCc1ccc(C(C)NC(=O)C2CC(=O)NC(c3ncccn3)N2)cc1
InChIInChI=1S/C19H23N5O2/c1-3-13-5-7-14(8-6-13)12(2)22-19(26)15-11-16(25)24-18(23-15)17-20-9-4-10-21-17/h4-10,12,15,18,23H,3,11H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyVAXXQOWXBPHEMB-UHFFFAOYSA-N
XLogP1.39
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide (CID 139268010) is N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide is CCc1ccc(C(C)NC(=O)C2CC(=O)NC(c3ncccn3)N2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The InChIKey is VAXXQOWXBPHEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-13-5-7-14(8-6-13)12(2)22-19(26)15-11-16(25)24-18(23-15)17-20-9-4-10-21-17/h4-10,12,15,18,23H,3,11H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).