6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine

C14H26N4O2S — CID 80943193

IUPAC6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C14H26N4O2S/c1-6-8-11-17-12(15-7-2)9-13(18-11)16-10-14(3,4)21(5,19)20/h9H,6-8,10H2,1-5H3,(H2,15,16,17,18)
InChIKeyLKFAHVCKNMYYQM-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.10
Rot. Bonds8

About 6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80943193) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80943193
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C14H26N4O2S/c1-6-8-11-17-12(15-7-2)9-13(18-11)16-10-14(3,4)21(5,19)20/h9H,6-8,10H2,1-5H3,(H2,15,16,17,18)
InChIKeyLKFAHVCKNMYYQM-UHFFFAOYSA-N
XLogP2.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidin-4-amine
CID 80947748
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80950175
N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80944898
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940430
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80945317
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80955338
6-hydrazinyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80928670
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643
6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80946119
6-N-ethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80950474
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine (CID 80943193) is 6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(NCC(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is LKFAHVCKNMYYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-6-8-11-17-12(15-7-2)9-13(18-11)16-10-14(3,4)21(5,19)20/h9H,6-8,10H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 314.46 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80943193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).