4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine

C20H22N4S — CID 71205367

IUPAC4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine
SMILESCC/C=C\c1nc(C)c(-c2ccnc(Nc3cccc(CC)c3)n2)s1
InChIInChI=1S/C20H22N4S/c1-4-6-10-18-22-14(3)19(25-18)17-11-12-21-20(24-17)23-16-9-7-8-15(5-2)13-16/h6-13H,4-5H2,1-3H3,(H,21,23,24)/b10-6-
InChIKeyYRQYUQVINWSMAJ-POHAHGRESA-N
MW350.49 g/mol
LogP5.64
Rot. Bonds6

About 4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine

4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine (PubChem CID 71205367) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine
PubChem CID71205367
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine
SMILESCC/C=C\c1nc(C)c(-c2ccnc(Nc3cccc(CC)c3)n2)s1
InChIInChI=1S/C20H22N4S/c1-4-6-10-18-22-14(3)19(25-18)17-11-12-21-20(24-17)23-16-9-7-8-15(5-2)13-16/h6-13H,4-5H2,1-3H3,(H,21,23,24)/b10-6-
InChIKeyYRQYUQVINWSMAJ-POHAHGRESA-N
XLogP5.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 11724828
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 11717857
N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide
CID 11567302
CID 89370521
CID 89370521
N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87365300
N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 54765908
N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide
CID 175251030
3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide
CID 174526213
3-ethyl-5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-one
CID 11210054
3-[[4-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
CID 87954429
N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 10091163
4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761889

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine (CID 71205367) is 4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine is CC/C=C\c1nc(C)c(-c2ccnc(Nc3cccc(CC)c3)n2)s1.
What is the InChIKey of 4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine?
The InChIKey is YRQYUQVINWSMAJ-POHAHGRESA-N. The full InChI is InChI=1S/C20H22N4S/c1-4-6-10-18-22-14(3)19(25-18)17-11-12-21-20(24-17)23-16-9-7-8-15(5-2)13-16/h6-13H,4-5H2,1-3H3,(H,21,23,24)/b10-6-.
What are the key properties of 4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine?
4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine has a molecular weight of 350.49 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 71205367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).