2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide

C10H16N4OS — CID 106277817

IUPAC2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
SMILESCSc1cc(NCC(C)(C)C(N)=O)ncn1
InChIInChI=1S/C10H16N4OS/c1-10(2,9(11)15)5-12-7-4-8(16-3)14-6-13-7/h4,6H,5H2,1-3H3,(H2,11,15)(H,12,13,14)
InChIKeyXDUHLKIJQQHDGN-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.12
Rot. Bonds5

About 2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide

2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide (PubChem CID 106277817) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
PubChem CID106277817
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
SMILESCSc1cc(NCC(C)(C)C(N)=O)ncn1
InChIInChI=1S/C10H16N4OS/c1-10(2,9(11)15)5-12-7-4-8(16-3)14-6-13-7/h4,6H,5H2,1-3H3,(H2,11,15)(H,12,13,14)
InChIKeyXDUHLKIJQQHDGN-UHFFFAOYSA-N
XLogP1.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butanoic acid
CID 106972325
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
CID 106144784
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 114164755
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
3-[(4-amino-5-methyl-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106275165
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide
CID 114167701
5,5-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]hexanoic acid
CID 106972354
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106972880
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide (CID 106277817) is 2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide is CSc1cc(NCC(C)(C)C(N)=O)ncn1.
What is the InChIKey of 2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide?
The InChIKey is XDUHLKIJQQHDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-10(2,9(11)15)5-12-7-4-8(16-3)14-6-13-7/h4,6H,5H2,1-3H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide?
2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide has a molecular weight of 240.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 106277817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).