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

C13H17ClN4OS — CID 106038178

IUPAC6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCCc2csc(C)n2)n1
InChIInChI=1S/C13H17ClN4OS/c1-3-19-7-13-17-11(14)6-12(18-13)15-5-4-10-8-20-9(2)16-10/h6,8H,3-5,7H2,1-2H3,(H,15,17,18)
InChIKeyJXWOISLXWIYZQB-UHFFFAOYSA-N
MW312.83 g/mol
LogP3.09
Rot. Bonds7

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

6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 106038178) has the molecular formula C13H17ClN4OS and a molecular weight of 312.83 g/mol. Its IUPAC name is 6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID106038178
Molecular FormulaC13H17ClN4OS
Molecular Weight312.83 g/mol
Exact Mass312.08
IUPAC Name6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCCc2csc(C)n2)n1
InChIInChI=1S/C13H17ClN4OS/c1-3-19-7-13-17-11(14)6-12(18-13)15-5-4-10-8-20-9(2)16-10/h6,8H,3-5,7H2,1-2H3,(H,15,17,18)
InChIKeyJXWOISLXWIYZQB-UHFFFAOYSA-N
XLogP3.09
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106043508
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine
CID 80939822
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine
CID 106197293
6-chloro-2-(ethoxymethyl)-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195868
6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432075
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106041934
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114416
6-chloro-2-(ethoxymethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 114126487

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (CID 106038178) is 6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is CCOCc1nc(Cl)cc(NCCc2csc(C)n2)n1.
What is the InChIKey of 6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is JXWOISLXWIYZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4OS/c1-3-19-7-13-17-11(14)6-12(18-13)15-5-4-10-8-20-9(2)16-10/h6,8H,3-5,7H2,1-2H3,(H,15,17,18).
What are the key properties of 6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 312.83 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106038178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).