2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine

C14H20N6S — CID 72911046

IUPAC2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCCSc1nc(N)cc(N(C)Cc2cnccn2)n1
InChIInChI=1S/C14H20N6S/c1-3-4-7-21-14-18-12(15)8-13(19-14)20(2)10-11-9-16-5-6-17-11/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,15,18,19)
InChIKeyWQVBEYPMPOJALO-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.38
Rot. Bonds7

About 2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine

2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 72911046) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID72911046
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCCSc1nc(N)cc(N(C)Cc2cnccn2)n1
InChIInChI=1S/C14H20N6S/c1-3-4-7-21-14-18-12(15)8-13(19-14)20(2)10-11-9-16-5-6-17-11/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,15,18,19)
InChIKeyWQVBEYPMPOJALO-UHFFFAOYSA-N
XLogP2.38
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
CID 133460950
2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine
CID 61295851
(4R)-4-[[(6-amino-2-butylsulfanylpyrimidin-4-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one
CID 97198180
6-ethoxy-N-methyl-N-(pyrazin-2-ylmethyl)pyrazin-2-amine
CID 133433906
1-methyl-1-(pyrazin-2-ylmethyl)hydrazine
CID 169495103
5-bromo-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
CID 133448669
4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775599
4-chloro-N-methyl-N-(pyrazin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56900887
2-[6-(4,6-diaminopyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidine-4,6-diamine
CID 13285556
2-[5-(4,6-diaminopyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine-4,6-diamine
CID 13285555
4-N-butyl-4-N-methylpyrimidine-2,4,6-triamine
CID 78982418
4-N-butyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80753579

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine (CID 72911046) is 2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine is CCCCSc1nc(N)cc(N(C)Cc2cnccn2)n1.
What is the InChIKey of 2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is WQVBEYPMPOJALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-3-4-7-21-14-18-12(15)8-13(19-14)20(2)10-11-9-16-5-6-17-11/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,15,18,19).
What are the key properties of 2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine?
2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 304.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-4-N-methyl-4-N-(pyrazin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 72911046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).