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

C11H20N4 — CID 80980996

IUPAC4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCCCNc1nc(CC)nc(N)c1C
InChIInChI=1S/C11H20N4/c1-4-6-7-13-11-8(3)10(12)14-9(5-2)15-11/h4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyRMHBUHCDMOAZOI-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.14
Rot. Bonds5

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

4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80980996) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80980996
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCCCNc1nc(CC)nc(N)c1C
InChIInChI=1S/C11H20N4/c1-4-6-7-13-11-8(3)10(12)14-9(5-2)15-11/h4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyRMHBUHCDMOAZOI-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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Related Compounds

2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80986988
4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80836327
2-[2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106241829
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
CID 80994095
2-ethyl-5-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80984168
4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985293
5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327553
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311493

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 80980996) is 4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine is CCCCNc1nc(CC)nc(N)c1C.
What is the InChIKey of 4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is RMHBUHCDMOAZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-6-7-13-11-8(3)10(12)14-9(5-2)15-11/h4-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-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-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).