2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine

C10H18N4S — CID 71030895

IUPAC2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCCCCSc1nc(N)cc(N(C)C)n1
InChIInChI=1S/C10H18N4S/c1-4-5-6-15-10-12-8(11)7-9(13-10)14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyWEPIDMBXXBVQQQ-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.02
Rot. Bonds5

About 2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine

2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 71030895) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID71030895
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCCCCSc1nc(N)cc(N(C)C)n1
InChIInChI=1S/C10H18N4S/c1-4-5-6-15-10-12-8(11)7-9(13-10)14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyWEPIDMBXXBVQQQ-UHFFFAOYSA-N
XLogP2.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 71030895) is 2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine is CCCCSc1nc(N)cc(N(C)C)n1.
What is the InChIKey of 2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is WEPIDMBXXBVQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-4-5-6-15-10-12-8(11)7-9(13-10)14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine?
2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 226.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 71030895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).