2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide

C12H19ClN4OS — CID 113409410

IUPAC2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide
SMILESCSc1nc(Cl)cc(N(C)CC(=O)NCC(C)C)n1
InChIInChI=1S/C12H19ClN4OS/c1-8(2)6-14-11(18)7-17(3)10-5-9(13)15-12(16-10)19-4/h5,8H,6-7H2,1-4H3,(H,14,18)
InChIKeyXHMPFHNYRPGLCQ-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.06
Rot. Bonds6

About 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide

2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 113409410) has the molecular formula C12H19ClN4OS and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID113409410
Molecular FormulaC12H19ClN4OS
Molecular Weight302.83 g/mol
Exact Mass302.10
IUPAC Name2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide
SMILESCSc1nc(Cl)cc(N(C)CC(=O)NCC(C)C)n1
InChIInChI=1S/C12H19ClN4OS/c1-8(2)6-14-11(18)7-17(3)10-5-9(13)15-12(16-10)19-4/h5,8H,6-7H2,1-4H3,(H,14,18)
InChIKeyXHMPFHNYRPGLCQ-UHFFFAOYSA-N
XLogP2.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]acetate
CID 3321692
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 102716156
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 137009906
6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80545395
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80935631
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80820565
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 106767496
6-chloro-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80545306
6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546845
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546756
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80778671

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide (CID 113409410) is 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide is CSc1nc(Cl)cc(N(C)CC(=O)NCC(C)C)n1.
What is the InChIKey of 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is XHMPFHNYRPGLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4OS/c1-8(2)6-14-11(18)7-17(3)10-5-9(13)15-12(16-10)19-4/h5,8H,6-7H2,1-4H3,(H,14,18).
What are the key properties of 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide?
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 302.83 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113409410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).