4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C15H28N4 — CID 80980995

IUPAC4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCNc1nc(C(C)C)nc(NCCC)c1C
InChIInChI=1S/C15H28N4/c1-6-8-10-17-15-12(5)14(16-9-7-2)18-13(19-15)11(3)4/h11H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyCERSWSZLMIRDFI-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.94
Rot. Bonds8

About 4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80980995) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80980995
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCNc1nc(C(C)C)nc(NCCC)c1C
InChIInChI=1S/C15H28N4/c1-6-8-10-17-15-12(5)14(16-9-7-2)18-13(19-15)11(3)4/h11H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyCERSWSZLMIRDFI-UHFFFAOYSA-N
XLogP3.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.94
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

N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
4-N-hexan-2-yl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984973
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104830615
2-methyl-3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80991979
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104767285
2-methyl-1-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80981087
methyl 3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986482
(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80992681

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80980995) is 4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCCNc1nc(C(C)C)nc(NCCC)c1C.
What is the InChIKey of 4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is CERSWSZLMIRDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-8-10-17-15-12(5)14(16-9-7-2)18-13(19-15)11(3)4/h11H,6-10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).