6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine

C10H15N5O2 — CID 25198472

IUPAC6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine
SMILESNc1nc(N)c(N=O)c(OC2CCCCC2)n1
InChIInChI=1S/C10H15N5O2/c11-8-7(15-16)9(14-10(12)13-8)17-6-4-2-1-3-5-6/h6H,1-5H2,(H4,11,12,13,14)
InChIKeySQWOCOLJDBPZLN-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.75
Rot. Bonds3

About 6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine

6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine (PubChem CID 25198472) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine
PubChem CID25198472
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine
SMILESNc1nc(N)c(N=O)c(OC2CCCCC2)n1
InChIInChI=1S/C10H15N5O2/c11-8-7(15-16)9(14-10(12)13-8)17-6-4-2-1-3-5-6/h6H,1-5H2,(H4,11,12,13,14)
InChIKeySQWOCOLJDBPZLN-UHFFFAOYSA-N
XLogP1.75
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine?
The IUPAC name of 6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine (CID 25198472) is 6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine.
What is the SMILES notation for 6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine?
The canonical SMILES for 6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine is Nc1nc(N)c(N=O)c(OC2CCCCC2)n1.
What is the InChIKey of 6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine?
The InChIKey is SQWOCOLJDBPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-8-7(15-16)9(14-10(12)13-8)17-6-4-2-1-3-5-6/h6H,1-5H2,(H4,11,12,13,14).
What are the key properties of 6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine?
6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine has a molecular weight of 237.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-5-nitrosopyrimidine-2,4-diamine is sourced from PubChem (CID 25198472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).