4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C16H30N4S — CID 80838969

IUPAC4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCCCCCCCCCNc1cc(NC)nc(SC)n1
InChIInChI=1S/C16H30N4S/c1-4-5-6-7-8-9-10-11-12-18-15-13-14(17-2)19-16(20-15)21-3/h13H,4-12H2,1-3H3,(H2,17,18,19,20)
InChIKeyKXGIPGRTSCXFTN-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.79
Rot. Bonds12

About 4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80838969) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80838969
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCCCCCCCCCNc1cc(NC)nc(SC)n1
InChIInChI=1S/C16H30N4S/c1-4-5-6-7-8-9-10-11-12-18-15-13-14(17-2)19-16(20-15)21-3/h13H,4-12H2,1-3H3,(H2,17,18,19,20)
InChIKeyKXGIPGRTSCXFTN-UHFFFAOYSA-N
XLogP4.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
CID 80791948
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
6-N-ethyl-2-methylsulfanyl-4-N-(4-methylsulfanylbutyl)pyrimidine-4,6-diamine
CID 113488426
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
6-N-methyl-2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809600
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
6-N-methyl-2-methylsulfanyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433976
4-N-[2-(3,5-difluorophenyl)ethyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80804289
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80788462
4-N-[4-(dimethylamino)butyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817211

Frequently Asked Questions

What is the IUPAC name of 4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80838969) is 4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CCCCCCCCCCNc1cc(NC)nc(SC)n1.
What is the InChIKey of 4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is KXGIPGRTSCXFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-4-5-6-7-8-9-10-11-12-18-15-13-14(17-2)19-16(20-15)21-3/h13H,4-12H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 310.51 g/mol, XLogP of 4.79, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80838969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).