6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine

C11H17ClN4OS — CID 80545786

IUPAC6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C11H17ClN4OS/c1-16-3-4-17-8(7-16)6-13-10-5-9(12)14-11(15-10)18-2/h5,8H,3-4,6-7H2,1-2H3,(H,13,14,15)
InChIKeyPAXJOOTZVICFDT-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.59
Rot. Bonds4

About 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80545786) has the molecular formula C11H17ClN4OS and a molecular weight of 288.80 g/mol. Its IUPAC name is 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID80545786
Molecular FormulaC11H17ClN4OS
Molecular Weight288.80 g/mol
Exact Mass288.08
IUPAC Name6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C11H17ClN4OS/c1-16-3-4-17-8(7-16)6-13-10-5-9(12)14-11(15-10)18-2/h5,8H,3-4,6-7H2,1-2H3,(H,13,14,15)
InChIKeyPAXJOOTZVICFDT-UHFFFAOYSA-N
XLogP1.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768037
6-chloro-N-(1,4-dioxan-2-ylmethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545295
6-chloro-2-methylsulfanyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80546827
6-chloro-N-[(4-methylcyclohexyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80547154
6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80968899
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80850810
6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775874
6-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547099
6-chloro-2-methylsulfanyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 97164952
6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
CID 79070964
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine (CID 80545786) is 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(NCC2CN(C)CCO2)n1.
What is the InChIKey of 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is PAXJOOTZVICFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4OS/c1-16-3-4-17-8(7-16)6-13-10-5-9(12)14-11(15-10)18-2/h5,8H,3-4,6-7H2,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 288.80 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80545786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).