2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide

C12H18N4O2 — CID 113231442

IUPAC2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ncnc2c1CCC2
InChIInChI=1S/C12H18N4O2/c1-18-6-5-13-11(17)7-14-12-9-3-2-4-10(9)15-8-16-12/h8H,2-7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyIAFXTGYTEJZNGF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.14
Rot. Bonds6

About 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide (PubChem CID 113231442) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide
PubChem CID113231442
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ncnc2c1CCC2
InChIInChI=1S/C12H18N4O2/c1-18-6-5-13-11(17)7-14-12-9-3-2-4-10(9)15-8-16-12/h8H,2-7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyIAFXTGYTEJZNGF-UHFFFAOYSA-N
XLogP0.14
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate
CID 62832047
N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 83030077
N-(5-methoxypentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103827520
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide
CID 62831331
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9453782
2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 113405011
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 115944319
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115575489
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
2-methyl-5-(5,6,7,8-tetrahydroquinazolin-4-ylamino)pentan-1-ol
CID 103858517

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide (CID 113231442) is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1ncnc2c1CCC2.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide?
The InChIKey is IAFXTGYTEJZNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-6-5-13-11(17)7-14-12-9-3-2-4-10(9)15-8-16-12/h8H,2-7H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide?
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113231442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).