4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine

C12H23N5S — CID 113479527

IUPAC4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCC(C)(C)SC)nc(N)n1
InChIInChI=1S/C12H23N5S/c1-5-6-14-9-7-10(17-11(13)16-9)15-8-12(2,3)18-4/h7H,5-6,8H2,1-4H3,(H4,13,14,15,16,17)
InChIKeyPISZODUUZNZGSN-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.43
Rot. Bonds7

About 4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine

4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 113479527) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID113479527
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCC(C)(C)SC)nc(N)n1
InChIInChI=1S/C12H23N5S/c1-5-6-14-9-7-10(17-11(13)16-9)15-8-12(2,3)18-4/h7H,5-6,8H2,1-4H3,(H4,13,14,15,16,17)
InChIKeyPISZODUUZNZGSN-UHFFFAOYSA-N
XLogP2.43
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80850772
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257948
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80759731
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
CID 80861882
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80846411

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine (CID 113479527) is 4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NCC(C)(C)SC)nc(N)n1.
What is the InChIKey of 4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is PISZODUUZNZGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-5-6-14-9-7-10(17-11(13)16-9)15-8-12(2,3)18-4/h7H,5-6,8H2,1-4H3,(H4,13,14,15,16,17).
What are the key properties of 4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 269.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 113479527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).