5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one

C11H14N4O2 — CID 137016213

IUPAC5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(C(C)Nc2nc[nH]c(=O)c2N)o1
InChIInChI=1S/C11H14N4O2/c1-6-3-4-8(17-6)7(2)15-10-9(12)11(16)14-5-13-10/h3-5,7H,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyLTIKBRKZAXDPCI-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.43
Rot. Bonds3

About 5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one

5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 137016213) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID137016213
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1ccc(C(C)Nc2nc[nH]c(=O)c2N)o1
InChIInChI=1S/C11H14N4O2/c1-6-3-4-8(17-6)7(2)15-10-9(12)11(16)14-5-13-10/h3-5,7H,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyLTIKBRKZAXDPCI-UHFFFAOYSA-N
XLogP1.43
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973977
5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974372
5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974891
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 137016633
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136973568
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine
CID 82237135
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 137016632

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 137016213) is 5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one is Cc1ccc(C(C)Nc2nc[nH]c(=O)c2N)o1.
What is the InChIKey of 5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is LTIKBRKZAXDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-3-4-8(17-6)7(2)15-10-9(12)11(16)14-5-13-10/h3-5,7H,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 234.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).