4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine

C18H20N4O2S — CID 71573956

IUPAC4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
SMILESCOc1cccc(OC)c1-c1ccnc(NCc2nc(C)c(C)s2)n1
InChIInChI=1S/C18H20N4O2S/c1-11-12(2)25-16(21-11)10-20-18-19-9-8-13(22-18)17-14(23-3)6-5-7-15(17)24-4/h5-9H,10H2,1-4H3,(H,19,20,22)
InChIKeyVSUBHGIYQUCPSO-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.85
Rot. Bonds6

About 4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine

4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 71573956) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID71573956
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
SMILESCOc1cccc(OC)c1-c1ccnc(NCc2nc(C)c(C)s2)n1
InChIInChI=1S/C18H20N4O2S/c1-11-12(2)25-16(21-11)10-20-18-19-9-8-13(22-18)17-14(23-3)6-5-7-15(17)24-4/h5-9H,10H2,1-4H3,(H,19,20,22)
InChIKeyVSUBHGIYQUCPSO-UHFFFAOYSA-N
XLogP3.85
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 71574011
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 46996131
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110446475
2,4-dibromo-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methoxyaniline
CID 103412784
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine
CID 166258647
5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 68563776
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
CID 68562270
methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate
CID 71909586
4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide
CID 22142652
2-[[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]acetic acid
CID 70679459
5-(2,4-dimethoxyphenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 42415404
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanone
CID 115789523

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine (CID 71573956) is 4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine is COc1cccc(OC)c1-c1ccnc(NCc2nc(C)c(C)s2)n1.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is VSUBHGIYQUCPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-12(2)25-16(21-11)10-20-18-19-9-8-13(22-18)17-14(23-3)6-5-7-15(17)24-4/h5-9H,10H2,1-4H3,(H,19,20,22).
What are the key properties of 4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 356.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 71573956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).