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

C11H14N4OS — CID 112637712

IUPAC4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2cscn2)n1
InChIInChI=1S/C11H14N4OS/c1-2-16-10-4-6-13-11(15-10)12-5-3-9-7-17-8-14-9/h4,6-8H,2-3,5H2,1H3,(H,12,13,15)
InChIKeyMRLXBVGWPKEZAR-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.99
Rot. Bonds6

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

4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 112637712) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
PubChem CID112637712
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2cscn2)n1
InChIInChI=1S/C11H14N4OS/c1-2-16-10-4-6-13-11(15-10)12-5-3-9-7-17-8-14-9/h4,6-8H,2-3,5H2,1H3,(H,12,13,15)
InChIKeyMRLXBVGWPKEZAR-UHFFFAOYSA-N
XLogP1.99
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637048
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46996147
2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 167857097
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 114137291
N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 114134754

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (CID 112637712) is 4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is CCOc1ccnc(NCCc2cscn2)n1.
What is the InChIKey of 4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is MRLXBVGWPKEZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-16-10-4-6-13-11(15-10)12-5-3-9-7-17-8-14-9/h4,6-8H,2-3,5H2,1H3,(H,12,13,15).
What are the key properties of 4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 250.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 112637712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).