6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione

C12H18N4O2 — CID 103844281

IUPAC6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCCC2=CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O2/c1-16-10(13)9(11(17)15-12(16)18)14-7-6-8-4-2-3-5-8/h4,14H,2-3,5-7,13H2,1H3,(H,15,17,18)
InChIKeyWQGIFMKABSWTHG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.57
Rot. Bonds4

About 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione

6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione (PubChem CID 103844281) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione
PubChem CID103844281
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCCC2=CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O2/c1-16-10(13)9(11(17)15-12(16)18)14-7-6-8-4-2-3-5-8/h4,14H,2-3,5-7,13H2,1H3,(H,15,17,18)
InChIKeyWQGIFMKABSWTHG-UHFFFAOYSA-N
XLogP0.57
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-propylpyrimidine-2,4-dione
CID 103844290
4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide
CID 54933396
6-amino-5-(6-hydroxyhexylamino)-1-methylpyrimidine-2,4-dione
CID 103918166
6-amino-1-methyl-5-(2-pyrazol-1-ylethylamino)pyrimidine-2,4-dione
CID 61067211
6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione
CID 107816326
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 4133025
6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione
CID 115579965
6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione
CID 54906132
3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide
CID 113224834
3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106174357
6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione
CID 102699143
6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione
CID 54933352

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione (CID 103844281) is 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione is Cn1c(N)c(NCCC2=CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione?
The InChIKey is WQGIFMKABSWTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-10(13)9(11(17)15-12(16)18)14-7-6-8-4-2-3-5-8/h4,14H,2-3,5-7,13H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione has a molecular weight of 250.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 103844281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).