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

C12H16N4OS — CID 112637077

IUPAC4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCc2cnc(C)s2)n1
InChIInChI=1S/C12H16N4OS/c1-4-17-11-5-8(2)15-12(16-11)14-7-10-6-13-9(3)18-10/h5-6H,4,7H2,1-3H3,(H,14,15,16)
InChIKeyRYMFGQJWPQPFFP-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.56
Rot. Bonds5

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

4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine (PubChem CID 112637077) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
PubChem CID112637077
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCc2cnc(C)s2)n1
InChIInChI=1S/C12H16N4OS/c1-4-17-11-5-8(2)15-12(16-11)14-7-10-6-13-9(3)18-10/h5-6H,4,7H2,1-3H3,(H,14,15,16)
InChIKeyRYMFGQJWPQPFFP-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

4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 112638161
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80783065
2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868511
4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 115974506
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 112638194

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine (CID 112637077) is 4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine is CCOc1cc(C)nc(NCc2cnc(C)s2)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The InChIKey is RYMFGQJWPQPFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-17-11-5-8(2)15-12(16-11)14-7-10-6-13-9(3)18-10/h5-6H,4,7H2,1-3H3,(H,14,15,16).
What are the key properties of 4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-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 4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112637077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).