N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C14H18N6O3 — CID 137214437

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NCCc2nc(N)cc(=O)[nH]2)c(=O)[nH]1
InChIInChI=1S/C14H18N6O3/c1-7-9(14(23)18-8(2)17-7)5-12(21)16-4-3-11-19-10(15)6-13(22)20-11/h6H,3-5H2,1-2H3,(H,16,21)(H,17,18,23)(H3,15,19,20,22)
InChIKeyQVJKQBZHTYLVRB-UHFFFAOYSA-N
MW318.34 g/mol
LogP-1.05
Rot. Bonds5

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 137214437) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID137214437
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NCCc2nc(N)cc(=O)[nH]2)c(=O)[nH]1
InChIInChI=1S/C14H18N6O3/c1-7-9(14(23)18-8(2)17-7)5-12(21)16-4-3-11-19-10(15)6-13(22)20-11/h6H,3-5H2,1-2H3,(H,16,21)(H,17,18,23)(H3,15,19,20,22)
InChIKeyQVJKQBZHTYLVRB-UHFFFAOYSA-N
XLogP-1.05
TPSA146.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 136905749
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136662521
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136662441
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136665153
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxybutyl)propanamide
CID 136772476
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 135587917
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890172
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 137108538
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 167879268
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 135956418

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 137214437) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(C)c(CC(=O)NCCc2nc(N)cc(=O)[nH]2)c(=O)[nH]1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is QVJKQBZHTYLVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-7-9(14(23)18-8(2)17-7)5-12(21)16-4-3-11-19-10(15)6-13(22)20-11/h6H,3-5H2,1-2H3,(H,16,21)(H,17,18,23)(H3,15,19,20,22).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 318.34 g/mol, XLogP of -1.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 137214437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).