4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine

C10H18N4 — CID 135271001

IUPAC4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1C
InChIInChI=1S/C10H18N4/c1-4-5-6-12-9-7(2)8(3)13-10(11)14-9/h4-6H2,1-3H3,(H3,11,12,13,14)
InChIKeyNDPHLXRLJFNHMY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.89
Rot. Bonds4

About 4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine

4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine (PubChem CID 135271001) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
PubChem CID135271001
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1C
InChIInChI=1S/C10H18N4/c1-4-5-6-12-9-7(2)8(3)13-10(11)14-9/h4-6H2,1-3H3,(H3,11,12,13,14)
InChIKeyNDPHLXRLJFNHMY-UHFFFAOYSA-N
XLogP1.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.89
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-5,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine (CID 135271001) is 4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1C.
What is the InChIKey of 4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is NDPHLXRLJFNHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-5-6-12-9-7(2)8(3)13-10(11)14-9/h4-6H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine?
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 135271001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).