2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine

C10H18N4O2S — CID 64829302

IUPAC2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCC(CS(C)(=O)=O)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C10H18N4O2S/c1-8(7-17(4,15)16)12-9-5-6-11-10(13-9)14(2)3/h5-6,8H,7H2,1-4H3,(H,11,12,13)
InChIKeyMXHATQFLSZBBNP-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.39
Rot. Bonds5

About 2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 64829302) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine
PubChem CID64829302
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCC(CS(C)(=O)=O)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C10H18N4O2S/c1-8(7-17(4,15)16)12-9-5-6-11-10(13-9)14(2)3/h5-6,8H,7H2,1-4H3,(H,11,12,13)
InChIKeyMXHATQFLSZBBNP-UHFFFAOYSA-N
XLogP0.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine (CID 64829302) is 2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine is CC(CS(C)(=O)=O)Nc1ccnc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is MXHATQFLSZBBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8(7-17(4,15)16)12-9-5-6-11-10(13-9)14(2)3/h5-6,8H,7H2,1-4H3,(H,11,12,13).
What are the key properties of 2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 258.35 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 64829302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).