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

C24H46N4O — CID 91279272

IUPAC6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
SMILESCCCCCCCCCCCCCCCCCCCNc1cc(OC)nc(N)n1
InChIInChI=1S/C24H46N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-22-21-23(29-2)28-24(25)27-22/h21H,3-20H2,1-2H3,(H3,25,26,27,28)
InChIKeyBNKGCINNUXLTJD-UHFFFAOYSA-N
MW406.66 g/mol
LogP7.13
Rot. Bonds20

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

6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine (PubChem CID 91279272) has the molecular formula C24H46N4O and a molecular weight of 406.66 g/mol. Its IUPAC name is 6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
PubChem CID91279272
Molecular FormulaC24H46N4O
Molecular Weight406.66 g/mol
Exact Mass406.37
IUPAC Name6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
SMILESCCCCCCCCCCCCCCCCCCCNc1cc(OC)nc(N)n1
InChIInChI=1S/C24H46N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-22-21-23(29-2)28-24(25)27-22/h21H,3-20H2,1-2H3,(H3,25,26,27,28)
InChIKeyBNKGCINNUXLTJD-UHFFFAOYSA-N
XLogP7.13
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 57.13
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-nonylpyrimidine-2,4-diamine
CID 91451166
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-nonadecylpyrimidine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine (CID 91279272) is 6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine is CCCCCCCCCCCCCCCCCCCNc1cc(OC)nc(N)n1.
What is the InChIKey of 6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine?
The InChIKey is BNKGCINNUXLTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-22-21-23(29-2)28-24(25)27-22/h21H,3-20H2,1-2H3,(H3,25,26,27,28).
What are the key properties of 6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine?
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine has a molecular weight of 406.66 g/mol, XLogP of 7.13, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine is sourced from PubChem (CID 91279272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).