5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine

C19H17N5OS — CID 110214971

IUPAC5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine
SMILESCc1cc(-c2cnc(NC(C)c3cccnc3)nc2-c2cccs2)on1
InChIInChI=1S/C19H17N5OS/c1-12-9-16(25-24-12)15-11-21-19(23-18(15)17-6-4-8-26-17)22-13(2)14-5-3-7-20-10-14/h3-11,13H,1-2H3,(H,21,22,23)
InChIKeyDAOASTAJMHAXHM-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.74
Rot. Bonds5

About 5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine

5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine (PubChem CID 110214971) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine
PubChem CID110214971
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine
SMILESCc1cc(-c2cnc(NC(C)c3cccnc3)nc2-c2cccs2)on1
InChIInChI=1S/C19H17N5OS/c1-12-9-16(25-24-12)15-11-21-19(23-18(15)17-6-4-8-26-17)22-13(2)14-5-3-7-20-10-14/h3-11,13H,1-2H3,(H,21,22,23)
InChIKeyDAOASTAJMHAXHM-UHFFFAOYSA-N
XLogP4.74
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-2-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 110215268
4-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-2-ylethyl)pyrimidin-2-amine
CID 110219966
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
1-(4-chlorophenyl)-2-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]sulfanylethanone
CID 46950745
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
CID 110219964
N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800147
N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine
CID 24971425
4-propan-2-yloxy-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
CID 112636707
N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine
CID 95803036
4-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 62958907
cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 92554719
2-methyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidine
CID 95857470

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine (CID 110214971) is 5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine is Cc1cc(-c2cnc(NC(C)c3cccnc3)nc2-c2cccs2)on1.
What is the InChIKey of 5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is DAOASTAJMHAXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-12-9-16(25-24-12)15-11-21-19(23-18(15)17-6-4-8-26-17)22-13(2)14-5-3-7-20-10-14/h3-11,13H,1-2H3,(H,21,22,23).
What are the key properties of 5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine?
5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 363.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-oxazol-5-yl)-N-(1-pyridin-3-ylethyl)-4-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 110214971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).