4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine

C11H20N4 — CID 135271011

IUPAC4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CC
InChIInChI=1S/C11H20N4/c1-4-6-7-13-10-9(5-2)8(3)14-11(12)15-10/h4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyYPMSRSWJBFPGSV-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.14
Rot. Bonds5

About 4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine

4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 135271011) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
PubChem CID135271011
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CC
InChIInChI=1S/C11H20N4/c1-4-6-7-13-10-9(5-2)8(3)14-11(12)15-10/h4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyYPMSRSWJBFPGSV-UHFFFAOYSA-N
XLogP2.14
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine (CID 135271011) is 4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1CC.
What is the InChIKey of 4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is YPMSRSWJBFPGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-6-7-13-10-9(5-2)8(3)14-11(12)15-10/h4-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine?
4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 135271011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).