2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine

C10H18N4S — CID 64830478

IUPAC2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
SMILESCSCCCNc1ccnc(N(C)C)n1
InChIInChI=1S/C10H18N4S/c1-14(2)10-12-7-5-9(13-10)11-6-4-8-15-3/h5,7H,4,6,8H2,1-3H3,(H,11,12,13)
InChIKeyXVGJTONCVGHTBJ-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.71
Rot. Bonds6

About 2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine (PubChem CID 64830478) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
PubChem CID64830478
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
SMILESCSCCCNc1ccnc(N(C)C)n1
InChIInChI=1S/C10H18N4S/c1-14(2)10-12-7-5-9(13-10)11-6-4-8-15-3/h5,7H,4,6,8H2,1-3H3,(H,11,12,13)
InChIKeyXVGJTONCVGHTBJ-UHFFFAOYSA-N
XLogP1.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912235
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72918277
2-chloro-N-(4-methylsulfanylbutyl)pyrimidin-4-amine
CID 115695390
2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine
CID 64831051
N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63966158
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 64831444
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine
CID 78995491
4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115689924
4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829141
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830672
2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 64829676

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine (CID 64830478) is 2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine is CSCCCNc1ccnc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
The InChIKey is XVGJTONCVGHTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-14(2)10-12-7-5-9(13-10)11-6-4-8-15-3/h5,7H,4,6,8H2,1-3H3,(H,11,12,13).
What are the key properties of 2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine has a molecular weight of 226.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 64830478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).