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

C18H18N4OS — CID 142779544

IUPAC4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2-c2sc(C)nc2C2CC2)c1
InChIInChI=1S/C18H18N4OS/c1-10-21-15(11-6-7-11)17(24-10)16-14(9-20-18(19)22-16)12-4-3-5-13(8-12)23-2/h3-5,8-9,11H,6-7H2,1-2H3,(H2,19,20,22)
InChIKeyROTQCVKBTVECGO-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.04
Rot. Bonds4

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

4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine (PubChem CID 142779544) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
PubChem CID142779544
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2-c2sc(C)nc2C2CC2)c1
InChIInChI=1S/C18H18N4OS/c1-10-21-15(11-6-7-11)17(24-10)16-14(9-20-18(19)22-16)12-4-3-5-13(8-12)23-2/h3-5,8-9,11H,6-7H2,1-2H3,(H2,19,20,22)
InChIKeyROTQCVKBTVECGO-UHFFFAOYSA-N
XLogP4.04
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine (CID 142779544) is 4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine is COc1cccc(-c2cnc(N)nc2-c2sc(C)nc2C2CC2)c1.
What is the InChIKey of 4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is ROTQCVKBTVECGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-10-21-15(11-6-7-11)17(24-10)16-14(9-20-18(19)22-16)12-4-3-5-13(8-12)23-2/h3-5,8-9,11H,6-7H2,1-2H3,(H2,19,20,22).
What are the key properties of 4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine?
4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 338.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 142779544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).