4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine

C17H32N4 — CID 80960186

IUPAC4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCCCCCCCNc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C17H32N4/c1-4-5-6-7-8-9-10-11-12-19-16-13-15(18)20-17(21-16)14(2)3/h13-14H,4-12H2,1-3H3,(H3,18,19,20,21)
InChIKeyVQJKKBWNCOFPRZ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.73
Rot. Bonds11

About 4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80960186) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80960186
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCCCCCCCCCNc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C17H32N4/c1-4-5-6-7-8-9-10-11-12-19-16-13-15(18)20-17(21-16)14(2)3/h13-14H,4-12H2,1-3H3,(H3,18,19,20,21)
InChIKeyVQJKKBWNCOFPRZ-UHFFFAOYSA-N
XLogP4.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.73
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

3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80955755
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332318
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol
CID 113498157
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957424
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
4-N-[4-(dimethylamino)butyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967029
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343565

Frequently Asked Questions

What is the IUPAC name of 4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80960186) is 4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine is CCCCCCCCCCNc1cc(N)nc(C(C)C)n1.
What is the InChIKey of 4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is VQJKKBWNCOFPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-5-6-7-8-9-10-11-12-19-16-13-15(18)20-17(21-16)14(2)3/h13-14H,4-12H2,1-3H3,(H3,18,19,20,21).
What are the key properties of 4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.73, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).