6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine

C12H22N4S — CID 113473144

IUPAC6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NC(C)CSC
InChIInChI=1S/C12H22N4S/c1-5-6-10-11(13-3)14-8-15-12(10)16-9(2)7-17-4/h8-9H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyBIQIREGFWFBDNT-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.63
Rot. Bonds7

About 6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine

6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine (PubChem CID 113473144) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine
PubChem CID113473144
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NC(C)CSC
InChIInChI=1S/C12H22N4S/c1-5-6-10-11(13-3)14-8-15-12(10)16-9(2)7-17-4/h8-9H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyBIQIREGFWFBDNT-UHFFFAOYSA-N
XLogP2.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852754
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106358084
6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine
CID 102908880
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
CID 80822887
6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine
CID 80822476
6-N-methyl-5-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80825050
N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80907974
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine (CID 113473144) is 6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NC(C)CSC.
What is the InChIKey of 6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is BIQIREGFWFBDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-5-6-10-11(13-3)14-8-15-12(10)16-9(2)7-17-4/h8-9H,5-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 113473144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).