N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C21H19N5S — CID 10292744

IUPACN-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCN(C)c1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1
InChIInChI=1S/C21H19N5S/c1-26(2)18-8-6-15(7-9-18)16-4-3-5-17(14-16)24-21-23-11-10-19(25-21)20-22-12-13-27-20/h3-14H,1-2H3,(H,23,24,25)
InChIKeyDNVBPBVBSOHHBK-UHFFFAOYSA-N
MW373.49 g/mol
LogP5.08
Rot. Bonds5

About N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 10292744) has the molecular formula C21H19N5S and a molecular weight of 373.49 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID10292744
Molecular FormulaC21H19N5S
Molecular Weight373.49 g/mol
Exact Mass373.14
IUPAC NameN-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCN(C)c1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1
InChIInChI=1S/C21H19N5S/c1-26(2)18-8-6-15(7-9-18)16-4-3-5-17(14-16)24-21-23-11-10-19(25-21)20-22-12-13-27-20/h3-14H,1-2H3,(H,23,24,25)
InChIKeyDNVBPBVBSOHHBK-UHFFFAOYSA-N
XLogP5.08
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Stf-62247
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Timegadine
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N-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 90466261
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
CID 447962
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 36
CID 6539301
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185
1-[2-(2-{[2-(Dimethylamino)ethyl]amino}-6-{2-[(1-Methylethyl)amino]-1,3-Thiazol-5-Yl}pyrimidin-4-Yl)benzyl]-3-Ethylurea
CID 46864262

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 10292744) is N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is CN(C)c1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is DNVBPBVBSOHHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S/c1-26(2)18-8-6-15(7-9-18)16-4-3-5-17(14-16)24-21-23-11-10-19(25-21)20-22-12-13-27-20/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 373.49 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 10292744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).