2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine

C21H20N4O3S — CID 11690028

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3ccc(-c4cnco4)s3)nc(OC)n2)cc1
InChIInChI=1S/C21H20N4O3S/c1-26-15-5-3-14(4-6-15)9-10-23-20-11-16(24-21(25-20)27-2)18-7-8-19(29-18)17-12-22-13-28-17/h3-8,11-13H,9-10H2,1-2H3,(H,23,24,25)
InChIKeyVVOCDZXSPRDCKW-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.53
Rot. Bonds8

About 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine (PubChem CID 11690028) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine
PubChem CID11690028
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3ccc(-c4cnco4)s3)nc(OC)n2)cc1
InChIInChI=1S/C21H20N4O3S/c1-26-15-5-3-14(4-6-15)9-10-23-20-11-16(24-21(25-20)27-2)18-7-8-19(29-18)17-12-22-13-28-17/h3-8,11-13H,9-10H2,1-2H3,(H,23,24,25)
InChIKeyVVOCDZXSPRDCKW-UHFFFAOYSA-N
XLogP4.53
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2-Methoxy-6-oxazol-5-yl-pyrimidin-4-yl)-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 11631233
(2S)-2-[[2-(diethylamino)-5-[ethyl(thiophene-3-carbonyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
CID 16122692
(2S)-2-[[2-(diethylamino)-5-[ethyl(thiophene-2-carbonyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
CID 16122706
N-(4-(2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl)phenyl)benzo[d]oxazol-2-amine
CID 46883087
1-[5-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]-2-thienyl]ethanone
CID 53320268
[2-Methoxy-6-(3-oxazol-5-yl-phenyl)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53324534
3-(2-fluorophenyl)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)propanamide
CID 44448014
N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)-2-(p-tolyloxy)acetamide
CID 44448025
2-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 44454502
N-[1-[2-(4-methoxyanilino)pyrimidin-4-yl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 44525942
Thieno[2,3-c]pyridine-2-carboxamide,7-amino-4-[4-(2-benzoxazolylamino)phenyl]-
CID 11560418
N-[2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethyl]-1-benzothiophene-2-carboxamide
CID 44525971

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine (CID 11690028) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3ccc(-c4cnco4)s3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine?
The InChIKey is VVOCDZXSPRDCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-26-15-5-3-14(4-6-15)9-10-23-20-11-16(24-21(25-20)27-2)18-7-8-19(29-18)17-12-22-13-28-17/h3-8,11-13H,9-10H2,1-2H3,(H,23,24,25).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine has a molecular weight of 408.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 11690028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).