6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine

C17H32N4 — CID 80987059

IUPAC6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine
SMILESCCCCCCC(C)Nc1nc(CC)nc(NCC)c1C
InChIInChI=1S/C17H32N4/c1-6-9-10-11-12-13(4)19-17-14(5)16(18-8-3)20-15(7-2)21-17/h13H,6-12H2,1-5H3,(H2,18,19,20,21)
InChIKeyPAAJRTHTIJIEAB-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.55
Rot. Bonds10

About 6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine

6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine (PubChem CID 80987059) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine
PubChem CID80987059
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine
SMILESCCCCCCC(C)Nc1nc(CC)nc(NCC)c1C
InChIInChI=1S/C17H32N4/c1-6-9-10-11-12-13(4)19-17-14(5)16(18-8-3)20-15(7-2)21-17/h13H,6-12H2,1-5H3,(H2,18,19,20,21)
InChIKeyPAAJRTHTIJIEAB-UHFFFAOYSA-N
XLogP4.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.55
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-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propan-1-ol
CID 80993320
6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80982661
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327660
6-hydrazinyl-2,5-dimethyl-N-octan-2-ylpyrimidin-4-amine
CID 80897483
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
CID 80992163
4-N-hexan-2-yl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984973
6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine
CID 80972613
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179481
4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80983313
6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80800865

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine (CID 80987059) is 6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine is CCCCCCC(C)Nc1nc(CC)nc(NCC)c1C.
What is the InChIKey of 6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine?
The InChIKey is PAAJRTHTIJIEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-9-10-11-12-13(4)19-17-14(5)16(18-8-3)20-15(7-2)21-17/h13H,6-12H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine?
6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80987059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).