2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine

C17H32N4 — CID 80982152

IUPAC2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCCNc1nc(C(C)(C)C)nc(NCCC)c1C
InChIInChI=1S/C17H32N4/c1-7-9-10-12-19-15-13(3)14(18-11-8-2)20-16(21-15)17(4,5)6/h7-12H2,1-6H3,(H2,18,19,20,21)
InChIKeyHIHCSJPNMJAQOJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.51
Rot. Bonds8

About 2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine

2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80982152) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80982152
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCCCNc1nc(C(C)(C)C)nc(NCCC)c1C
InChIInChI=1S/C17H32N4/c1-7-9-10-12-19-15-13(3)14(18-11-8-2)20-16(21-15)17(4,5)6/h7-12H2,1-6H3,(H2,18,19,20,21)
InChIKeyHIHCSJPNMJAQOJ-UHFFFAOYSA-N
XLogP4.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.51
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-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80987650
2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine
CID 80983933
2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80977294
2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
CID 82941053
3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80991702
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine
CID 81006868
6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
CID 80988066
2-tert-butyl-6-N,5-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80983862
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine (CID 80982152) is 2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine is CCCCCNc1nc(C(C)(C)C)nc(NCCC)c1C.
What is the InChIKey of 2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is HIHCSJPNMJAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-7-9-10-12-19-15-13(3)14(18-11-8-2)20-16(21-15)17(4,5)6/h7-12H2,1-6H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).