4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine

C19H20N4OS — CID 67346929

IUPAC4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCCc1nc(C2CC2)c(-c2ccnc(Nc3cccc(OC)c3)n2)s1
InChIInChI=1S/C19H20N4OS/c1-3-16-23-17(12-7-8-12)18(25-16)15-9-10-20-19(22-15)21-13-5-4-6-14(11-13)24-2/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,21,22)
InChIKeyXDLGURKGHUBTDG-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.79
Rot. Bonds6

About 4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine

4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (PubChem CID 67346929) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
PubChem CID67346929
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCCc1nc(C2CC2)c(-c2ccnc(Nc3cccc(OC)c3)n2)s1
InChIInChI=1S/C19H20N4OS/c1-3-16-23-17(12-7-8-12)18(25-16)15-9-10-20-19(22-15)21-13-5-4-6-14(11-13)24-2/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,21,22)
InChIKeyXDLGURKGHUBTDG-UHFFFAOYSA-N
XLogP4.79
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-(2-methoxyethyl)carbamic acid
CID 67347392
5-[2-(3-chloroanilino)pyrimidin-4-yl]-4-cyclopropyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 87364956
3-ethyl-5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-one
CID 11210054
3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
CID 154070317
1-[3-[[4-[4-cyclopropyl-2-(1-methoxypropan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]ethanone
CID 87365937
N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87365300
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903019
N-[4-cyclopropyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 87366323
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
CID 24992713
ethyl 3-[2-(3-methoxyanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218244

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CID 67346929) is 4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine is CCc1nc(C2CC2)c(-c2ccnc(Nc3cccc(OC)c3)n2)s1.
What is the InChIKey of 4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is XDLGURKGHUBTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-3-16-23-17(12-7-8-12)18(25-16)15-9-10-20-19(22-15)21-13-5-4-6-14(11-13)24-2/h4-6,9-12H,3,7-8H2,1-2H3,(H,20,21,22).
What are the key properties of 4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 352.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 67346929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).