2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one

C13H17N3OS — CID 136975508

IUPAC2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)c2ccsc2)cc(=O)[nH]1
InChIInChI=1S/C13H17N3OS/c1-8(2)13-15-11(6-12(17)16-13)14-9(3)10-4-5-18-7-10/h4-9H,1-3H3,(H2,14,15,16,17)
InChIKeyNXWGSZYISAGSAX-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.13
Rot. Bonds4

About 2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one

2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136975508) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136975508
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC(C)c2ccsc2)cc(=O)[nH]1
InChIInChI=1S/C13H17N3OS/c1-8(2)13-15-11(6-12(17)16-13)14-9(3)10-4-5-18-7-10/h4-9H,1-3H3,(H2,14,15,16,17)
InChIKeyNXWGSZYISAGSAX-UHFFFAOYSA-N
XLogP3.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
CID 136975504
4-[1-(4-bromophenyl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974919
2-propan-2-yl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80957246
4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016620
N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 137016251
2-methyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 137015941
2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83076667
7-(1-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282324
4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine
CID 113491500
2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80824404
4-(octan-4-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136731501
4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973651

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one (CID 136975508) is 2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one is CC(C)c1nc(NC(C)c2ccsc2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is NXWGSZYISAGSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8(2)13-15-11(6-12(17)16-13)14-9(3)10-4-5-18-7-10/h4-9H,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one?
2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 263.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).