2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide

C12H20N6O3 — CID 171463241

IUPAC2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCNCCN(CC(=O)NC)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C12H20N6O3/c1-14-4-6-17(7-10(19)15-2)11(20)8-18-5-3-9(13)16-12(18)21/h3,5,14H,4,6-8H2,1-2H3,(H,15,19)(H2,13,16,21)
InChIKeyHLAXYZSMMKHCME-UHFFFAOYSA-N
MW296.33 g/mol
LogP-2.38
Rot. Bonds7

About 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide

2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide (PubChem CID 171463241) has the molecular formula C12H20N6O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
PubChem CID171463241
Molecular FormulaC12H20N6O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCNCCN(CC(=O)NC)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C12H20N6O3/c1-14-4-6-17(7-10(19)15-2)11(20)8-18-5-3-9(13)16-12(18)21/h3,5,14H,4,6-8H2,1-2H3,(H,15,19)(H2,13,16,21)
InChIKeyHLAXYZSMMKHCME-UHFFFAOYSA-N
XLogP-2.38
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-amino-2-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 44144255
2-(4-acetamido-2-oxopyrimidin-1-yl)-N,N-diethylacetamide
CID 296597
2-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)-N,N-diethylacetamide
CID 296516
4-(1-Fluoroethylamino)-1-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one
CID 129227488
N-(2-Hydroxyethyl)-2-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)acetamide
CID 379360
N-(3-Hydroxypropyl)-2-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)acetamide
CID 379361
2-(Methylamino)-ethylglycine-carbonylmethylene-cytosine
CID 4627777
2-Aminoethylglycine-carbonylmethylene-cytosine
CID 4627781
Cytosine-acetamide
CID 129695566
2-(4-amino-2-oxopyrimidin-1-yl)-N,N-diethylacetamide;hydrochloride
CID 24194236
N-(1-Ethyl-2-oxo-1,2-dihydro-4-pyrimidinyl)acetamide
CID 45119271
2-[[2-(4-Amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 17878899

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide (CID 171463241) is 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide is CNCCN(CC(=O)NC)C(=O)Cn1ccc(N)nc1=O.
What is the InChIKey of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide?
The InChIKey is HLAXYZSMMKHCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3/c1-14-4-6-17(7-10(19)15-2)11(20)8-18-5-3-9(13)16-12(18)21/h3,5,14H,4,6-8H2,1-2H3,(H,15,19)(H2,13,16,21).
What are the key properties of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide?
2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of -2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 171463241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).