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

C9H15N5O2 — CID 136870164

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c1-3-14(2)6(15)4-11-8-7(10)9(16)13-5-12-8/h5H,3-4,10H2,1-2H3,(H2,11,12,13,16)
InChIKeyTXUHJWYCZFEMEU-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.76
Rot. Bonds4

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide (PubChem CID 136870164) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
PubChem CID136870164
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c1-3-14(2)6(15)4-11-8-7(10)9(16)13-5-12-8/h5H,3-4,10H2,1-2H3,(H2,11,12,13,16)
InChIKeyTXUHJWYCZFEMEU-UHFFFAOYSA-N
XLogP-0.76
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Caffeine bromide
CID 21966
3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride
CID 22181
Caffeine, monohydriodide
CID 28309
Pepteridine A
CID 146684612
Pepteridine B
CID 146684613
2,6-diamino-4-hydroxy-5-N-methylformamidopyrimidine
CID 135398708
N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)formamide
CID 333439
3,5,7,8-Tetrahydro-4,6-pteridinedione
CID 135703371
Purine, 6,8-dihydroxy-9-methyl-
CID 135755327
5,6,7,8-Tetrahydropteridin-4(1H)-one
CID 135755335
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide (CID 136870164) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is TXUHJWYCZFEMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-3-14(2)6(15)4-11-8-7(10)9(16)13-5-12-8/h5H,3-4,10H2,1-2H3,(H2,11,12,13,16).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 225.25 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 136870164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).