4-N-dodecyl-6-methoxypyrimidine-2,4-diamine

C17H32N4O — CID 91378772

IUPAC4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
SMILESCCCCCCCCCCCCNc1cc(OC)nc(N)n1
InChIInChI=1S/C17H32N4O/c1-3-4-5-6-7-8-9-10-11-12-13-19-15-14-16(22-2)21-17(18)20-15/h14H,3-13H2,1-2H3,(H3,18,19,20,21)
InChIKeyYBFLSAXOJJWOIF-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.40
Rot. Bonds13

About 4-N-dodecyl-6-methoxypyrimidine-2,4-diamine

4-N-dodecyl-6-methoxypyrimidine-2,4-diamine (PubChem CID 91378772) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-N-dodecyl-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
PubChem CID91378772
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
SMILESCCCCCCCCCCCCNc1cc(OC)nc(N)n1
InChIInChI=1S/C17H32N4O/c1-3-4-5-6-7-8-9-10-11-12-13-19-15-14-16(22-2)21-17(18)20-15/h14H,3-13H2,1-2H3,(H3,18,19,20,21)
InChIKeyYBFLSAXOJJWOIF-UHFFFAOYSA-N
XLogP4.40
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.40
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

6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
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 4-N-dodecyl-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-dodecyl-6-methoxypyrimidine-2,4-diamine (CID 91378772) is 4-N-dodecyl-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-dodecyl-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-dodecyl-6-methoxypyrimidine-2,4-diamine is CCCCCCCCCCCCNc1cc(OC)nc(N)n1.
What is the InChIKey of 4-N-dodecyl-6-methoxypyrimidine-2,4-diamine?
The InChIKey is YBFLSAXOJJWOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-3-4-5-6-7-8-9-10-11-12-13-19-15-14-16(22-2)21-17(18)20-15/h14H,3-13H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-dodecyl-6-methoxypyrimidine-2,4-diamine?
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine has a molecular weight of 308.47 g/mol, XLogP of 4.40, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dodecyl-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 91378772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).