N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C15H20N6O2 — CID 136607663

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCCc1nc(N)cc(=O)[nH]1)Cc1cccnc1
InChIInChI=1S/C15H20N6O2/c1-21(9-11-3-2-5-17-8-11)10-15(23)18-6-4-13-19-12(16)7-14(22)20-13/h2-3,5,7-8H,4,6,9-10H2,1H3,(H,18,23)(H3,16,19,20,22)
InChIKeyRDGBWGWKUQJMMZ-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.46
Rot. Bonds7

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 136607663) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID136607663
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCCc1nc(N)cc(=O)[nH]1)Cc1cccnc1
InChIInChI=1S/C15H20N6O2/c1-21(9-11-3-2-5-17-8-11)10-15(23)18-6-4-13-19-12(16)7-14(22)20-13/h2-3,5,7-8H,4,6,9-10H2,1H3,(H,18,23)(H3,16,19,20,22)
InChIKeyRDGBWGWKUQJMMZ-UHFFFAOYSA-N
XLogP-0.46
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 135088813
N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563094
2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 91780682
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 133121337
N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide
CID 131897637
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151614
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 118782931
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 91762097
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2-phenylethyl)acetamide
CID 9261639

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 136607663) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is CN(CC(=O)NCCc1nc(N)cc(=O)[nH]1)Cc1cccnc1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is RDGBWGWKUQJMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-21(9-11-3-2-5-17-8-11)10-15(23)18-6-4-13-19-12(16)7-14(22)20-13/h2-3,5,7-8H,4,6,9-10H2,1H3,(H,18,23)(H3,16,19,20,22).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 316.37 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 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-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 136607663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).