6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine

C13H16ClN3OS — CID 113400943

IUPAC6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCc2ccc(C)s2)n1
InChIInChI=1S/C13H16ClN3OS/c1-3-18-8-13-16-11(14)6-12(17-13)15-7-10-5-4-9(2)19-10/h4-6H,3,7-8H2,1-2H3,(H,15,16,17)
InChIKeyPWPXCPWIQHDOAS-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.65
Rot. Bonds6

About 6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine

6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine (PubChem CID 113400943) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
PubChem CID113400943
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCc2ccc(C)s2)n1
InChIInChI=1S/C13H16ClN3OS/c1-3-18-8-13-16-11(14)6-12(17-13)15-7-10-5-4-9(2)19-10/h4-6H,3,7-8H2,1-2H3,(H,15,16,17)
InChIKeyPWPXCPWIQHDOAS-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
6-chloro-2-(ethoxymethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 114126487
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038178
6-chloro-2-(ethoxymethyl)-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195868
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811
6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114416
6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432075
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149394

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine (CID 113400943) is 6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine is CCOCc1nc(Cl)cc(NCc2ccc(C)s2)n1.
What is the InChIKey of 6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is PWPXCPWIQHDOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-3-18-8-13-16-11(14)6-12(17-13)15-7-10-5-4-9(2)19-10/h4-6H,3,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 297.81 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 113400943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).