2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide

C11H18N4OS — CID 106972987

IUPAC2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCSc1cc(NC(C)C(=O)NC(C)C)ncn1
InChIInChI=1S/C11H18N4OS/c1-7(2)14-11(16)8(3)15-9-5-10(17-4)13-6-12-9/h5-8H,1-4H3,(H,14,16)(H,12,13,15)
InChIKeyXUELWXJAYCPUMV-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.52
Rot. Bonds5

About 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide

2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 106972987) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
PubChem CID106972987
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCSc1cc(NC(C)C(=O)NC(C)C)ncn1
InChIInChI=1S/C11H18N4OS/c1-7(2)14-11(16)8(3)15-9-5-10(17-4)13-6-12-9/h5-8H,1-4H3,(H,14,16)(H,12,13,15)
InChIKeyXUELWXJAYCPUMV-UHFFFAOYSA-N
XLogP1.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106972989
5,5-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]hexanoic acid
CID 106972354
6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 106972535
2-[(4-amino-5-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113406565
N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106973796
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol
CID 106973053
N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972875
1-N,1-N,3-trimethyl-2-N-(6-methylsulfanylpyrimidin-4-yl)butane-1,2-diamine
CID 106972725
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136976806
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide
CID 102719169

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide (CID 106972987) is 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide is CSc1cc(NC(C)C(=O)NC(C)C)ncn1.
What is the InChIKey of 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is XUELWXJAYCPUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7(2)14-11(16)8(3)15-9-5-10(17-4)13-6-12-9/h5-8H,1-4H3,(H,14,16)(H,12,13,15).
What are the key properties of 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 254.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 106972987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).