6-methoxy-4-N-nonylpyrimidine-2,4-diamine

C14H26N4O — CID 91451166

IUPAC6-methoxy-4-N-nonylpyrimidine-2,4-diamine
SMILESCCCCCCCCCNc1cc(OC)nc(N)n1
InChIInChI=1S/C14H26N4O/c1-3-4-5-6-7-8-9-10-16-12-11-13(19-2)18-14(15)17-12/h11H,3-10H2,1-2H3,(H3,15,16,17,18)
InChIKeyAJTSHBQWYCDNOQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.23
Rot. Bonds10

About 6-methoxy-4-N-nonylpyrimidine-2,4-diamine

6-methoxy-4-N-nonylpyrimidine-2,4-diamine (PubChem CID 91451166) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-methoxy-4-N-nonylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-nonylpyrimidine-2,4-diamine
PubChem CID91451166
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name6-methoxy-4-N-nonylpyrimidine-2,4-diamine
SMILESCCCCCCCCCNc1cc(OC)nc(N)n1
InChIInChI=1S/C14H26N4O/c1-3-4-5-6-7-8-9-10-16-12-11-13(19-2)18-14(15)17-12/h11H,3-10H2,1-2H3,(H3,15,16,17,18)
InChIKeyAJTSHBQWYCDNOQ-UHFFFAOYSA-N
XLogP3.23
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol
CID 114053267
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018
6-methoxy-2-methyl-N-octylpyrimidin-4-amine
CID 113337456
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
6-methoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82457982
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-nonylpyrimidine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-nonylpyrimidine-2,4-diamine (CID 91451166) is 6-methoxy-4-N-nonylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-nonylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-nonylpyrimidine-2,4-diamine is CCCCCCCCCNc1cc(OC)nc(N)n1.
What is the InChIKey of 6-methoxy-4-N-nonylpyrimidine-2,4-diamine?
The InChIKey is AJTSHBQWYCDNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-4-5-6-7-8-9-10-16-12-11-13(19-2)18-14(15)17-12/h11H,3-10H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 6-methoxy-4-N-nonylpyrimidine-2,4-diamine?
6-methoxy-4-N-nonylpyrimidine-2,4-diamine has a molecular weight of 266.39 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-nonylpyrimidine-2,4-diamine is sourced from PubChem (CID 91451166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).