6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine

C13H21N5O2 — CID 5329592

IUPAC6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine
SMILESCO/N=C/c1c(N)nc(N)nc1OCC1CCCCC1
InChIInChI=1S/C13H21N5O2/c1-19-16-7-10-11(14)17-13(15)18-12(10)20-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H4,14,15,17,18)/b16-7+
InChIKeyHEEHCDPNERVCBP-FRKPEAEDSA-N
MW279.34 g/mol
LogP1.58
Rot. Bonds5

About 6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine

6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine (PubChem CID 5329592) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine
PubChem CID5329592
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine
SMILESCO/N=C/c1c(N)nc(N)nc1OCC1CCCCC1
InChIInChI=1S/C13H21N5O2/c1-19-16-7-10-11(14)17-13(15)18-12(10)20-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H4,14,15,17,18)/b16-7+
InChIKeyHEEHCDPNERVCBP-FRKPEAEDSA-N
XLogP1.58
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine (CID 5329592) is 6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine is CO/N=C/c1c(N)nc(N)nc1OCC1CCCCC1.
What is the InChIKey of 6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine?
The InChIKey is HEEHCDPNERVCBP-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-19-16-7-10-11(14)17-13(15)18-12(10)20-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H4,14,15,17,18)/b16-7+.
What are the key properties of 6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine?
6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine has a molecular weight of 279.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-5-[(E)-methoxyiminomethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 5329592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).