N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine

C11H14N4OS — CID 113244193

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCCc1cnc(CNc2nccc(OC)n2)s1
InChIInChI=1S/C11H14N4OS/c1-3-8-6-13-10(17-8)7-14-11-12-5-4-9(15-11)16-2/h4-6H,3,7H2,1-2H3,(H,12,14,15)
InChIKeyPAJSLQUPLQTUPL-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.12
Rot. Bonds5

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 113244193) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID113244193
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCCc1cnc(CNc2nccc(OC)n2)s1
InChIInChI=1S/C11H14N4OS/c1-3-8-6-13-10(17-8)7-14-11-12-5-4-9(15-11)16-2/h4-6H,3,7H2,1-2H3,(H,12,14,15)
InChIKeyPAJSLQUPLQTUPL-UHFFFAOYSA-N
XLogP2.12
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-methoxy-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine
CID 104577405
4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 114137291
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111534050
N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 106013343
N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine
CID 114125798
4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 112685174
4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 114129232
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114129238

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine (CID 113244193) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine is CCc1cnc(CNc2nccc(OC)n2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is PAJSLQUPLQTUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-3-8-6-13-10(17-8)7-14-11-12-5-4-9(15-11)16-2/h4-6H,3,7H2,1-2H3,(H,12,14,15).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 250.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 113244193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).