6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine

C17H21N5O2 — CID 5329588

IUPAC6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
InChIInChI=1S/C17H21N5O2/c18-17-20-15(19-13-9-5-2-6-10-13)14(22-23)16(21-17)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H3,18,19,20,21)
InChIKeyVEAWIGOJJIBQEQ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.16
Rot. Bonds6

About 6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine

6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 5329588) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine
PubChem CID5329588
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
InChIInChI=1S/C17H21N5O2/c18-17-20-15(19-13-9-5-2-6-10-13)14(22-23)16(21-17)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H3,18,19,20,21)
InChIKeyVEAWIGOJJIBQEQ-UHFFFAOYSA-N
XLogP4.16
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine (CID 5329588) is 6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine is Nc1nc(Nc2ccccc2)c(N=O)c(OCC2CCCCC2)n1.
What is the InChIKey of 6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is VEAWIGOJJIBQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-17-20-15(19-13-9-5-2-6-10-13)14(22-23)16(21-17)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H3,18,19,20,21).
What are the key properties of 6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine?
6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 327.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 5329588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).