2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide

C19H17N5O2S — CID 16584583

IUPAC2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
SMILESCc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NCCc1cccs1
InChIInChI=1S/C19H17N5O2S/c1-12-14(17(25)20-9-8-13-5-4-10-27-13)11-21-18(22-12)24-19-23-15-6-2-3-7-16(15)26-19/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,21,22,23,24)
InChIKeyFJPDQUJDPKLFMF-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.70
Rot. Bonds6

About 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide

2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide (PubChem CID 16584583) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
PubChem CID16584583
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
SMILESCc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NCCc1cccs1
InChIInChI=1S/C19H17N5O2S/c1-12-14(17(25)20-9-8-13-5-4-10-27-13)11-21-18(22-12)24-19-23-15-6-2-3-7-16(15)26-19/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,21,22,23,24)
InChIKeyFJPDQUJDPKLFMF-UHFFFAOYSA-N
XLogP3.70
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide
CID 16584584
2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 1093212
4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 20959640
2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 20959702
2-methyl-6-phenyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 24532142
2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684821
4-hydrazinyl-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81256558
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 50985156
6-methyl-4-(propylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81238896
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(1,3-benzoxazol-2-ylamino)-4-methylpyrimidin-5-yl]methanone
CID 16584592
2-(4-methyl-1,3-thiazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110679612
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 110673689

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide (CID 16584583) is 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide is Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)NCCc1cccs1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is FJPDQUJDPKLFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-12-14(17(25)20-9-8-13-5-4-10-27-13)11-21-18(22-12)24-19-23-15-6-2-3-7-16(15)26-19/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,21,22,23,24).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide?
2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 379.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 16584583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).