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

C12H16N4OS — CID 114128058

IUPAC6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ncc(C)s2)c1C
InChIInChI=1S/C12H16N4OS/c1-4-17-12-9(3)11(15-7-16-12)14-6-10-13-5-8(2)18-10/h5,7H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyUIOOCSRJVKXRGZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.56
Rot. Bonds5

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

6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 114128058) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID114128058
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ncc(C)s2)c1C
InChIInChI=1S/C12H16N4OS/c1-4-17-12-9(3)11(15-7-16-12)14-6-10-13-5-8(2)18-10/h5,7H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyUIOOCSRJVKXRGZ-UHFFFAOYSA-N
XLogP2.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 114127983
6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 66327056
6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325638
6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66327283
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (CID 114128058) is 6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is CCOc1ncnc(NCc2ncc(C)s2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is UIOOCSRJVKXRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-17-12-9(3)11(15-7-16-12)14-6-10-13-5-8(2)18-10/h5,7H,4,6H2,1-3H3,(H,14,15,16).
What are the key properties of 6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114128058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).