5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one

C12H16N4OS — CID 136974891

IUPAC5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1cc(C(C)Nc2nc[nH]c(=O)c2N)c(C)s1
InChIInChI=1S/C12H16N4OS/c1-6-4-9(8(3)18-6)7(2)16-11-10(13)12(17)15-5-14-11/h4-5,7H,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyQAXHSZAWHUQCFF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.20
Rot. Bonds3

About 5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one

5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136974891) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136974891
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1cc(C(C)Nc2nc[nH]c(=O)c2N)c(C)s1
InChIInChI=1S/C12H16N4OS/c1-6-4-9(8(3)18-6)7(2)16-11-10(13)12(17)15-5-14-11/h4-5,7H,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyQAXHSZAWHUQCFF-UHFFFAOYSA-N
XLogP2.20
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016213
5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973977
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-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974372
5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 81440054
5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136973568
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 137016633
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine
CID 106565436

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one (CID 136974891) is 5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one is Cc1cc(C(C)Nc2nc[nH]c(=O)c2N)c(C)s1.
What is the InChIKey of 5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is QAXHSZAWHUQCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-6-4-9(8(3)18-6)7(2)16-11-10(13)12(17)15-5-14-11/h4-5,7H,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 264.35 g/mol, XLogP of 2.20, 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-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).