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

C12H16N4OS — CID 133464216

IUPAC6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(N(C)Cc2csc(C)n2)ncn1
InChIInChI=1S/C12H16N4OS/c1-4-17-12-5-11(13-8-14-12)16(3)6-10-7-18-9(2)15-10/h5,7-8H,4,6H2,1-3H3
InChIKeySROCGSXLWMHATB-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.28
Rot. Bonds5

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

6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 133464216) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID133464216
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(N(C)Cc2csc(C)n2)ncn1
InChIInChI=1S/C12H16N4OS/c1-4-17-12-5-11(13-8-14-12)16(3)6-10-7-18-9(2)15-10/h5,7-8H,4,6H2,1-3H3
InChIKeySROCGSXLWMHATB-UHFFFAOYSA-N
XLogP2.28
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811753
6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine
CID 133485067
6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 133484675
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811752
6-N-ethyl-4-N,2-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811827
5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811601
6-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 47453755
2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811999
2-ethyl-6-hydrazinyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80937691
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 86816209
6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80953390

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (CID 133464216) is 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is CCOc1cc(N(C)Cc2csc(C)n2)ncn1.
What is the InChIKey of 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is SROCGSXLWMHATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-17-12-5-11(13-8-14-12)16(3)6-10-7-18-9(2)15-10/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133464216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).