2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine

C10H18N4O2S — CID 80934736

IUPAC2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C10H18N4O2S/c1-3-9-13-8(11)7-10(14-9)12-5-4-6-17(2,15)16/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyDXWVCJXHGFPANP-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.47
Rot. Bonds6

About 2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine

2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine (PubChem CID 80934736) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
PubChem CID80934736
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C10H18N4O2S/c1-3-9-13-8(11)7-10(14-9)12-5-4-6-17(2,15)16/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyDXWVCJXHGFPANP-UHFFFAOYSA-N
XLogP0.47
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
4-N-(3-methylsulfonylpropyl)pyrimidine-2,4,6-triamine
CID 80812862
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80934884
2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80935114
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine
CID 102809402
2-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343133
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332284

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine (CID 80934736) is 2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine is CCc1nc(N)cc(NCCCS(C)(=O)=O)n1.
What is the InChIKey of 2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine?
The InChIKey is DXWVCJXHGFPANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-9-13-8(11)7-10(14-9)12-5-4-6-17(2,15)16/h7H,3-6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine?
2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine has a molecular weight of 258.35 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80934736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).