2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one

C14H18N4OS — CID 136976762

IUPAC2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCCc1cnc(C(C)Nc2cc(=O)[nH]c(C3CC3)n2)s1
InChIInChI=1S/C14H18N4OS/c1-3-10-7-15-14(20-10)8(2)16-11-6-12(19)18-13(17-11)9-4-5-9/h6-9H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyYNJMJNYDZNHBRE-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.84
Rot. Bonds5

About 2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136976762) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136976762
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCCc1cnc(C(C)Nc2cc(=O)[nH]c(C3CC3)n2)s1
InChIInChI=1S/C14H18N4OS/c1-3-10-7-15-14(20-10)8(2)16-11-6-12(19)18-13(17-11)9-4-5-9/h6-9H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyYNJMJNYDZNHBRE-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974892
2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136973985
2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 137011768
2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one
CID 137016449
2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
CID 136975504
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 113387591
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136976806
2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824093
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]azepan-2-one
CID 113251290
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one
CID 136974495
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136976762) is 2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one is CCc1cnc(C(C)Nc2cc(=O)[nH]c(C3CC3)n2)s1.
What is the InChIKey of 2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is YNJMJNYDZNHBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-10-7-15-14(20-10)8(2)16-11-6-12(19)18-13(17-11)9-4-5-9/h6-9H,3-5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 290.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).