5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

C14H17N5O3 — CID 88966587

IUPAC5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1N=O
InChIInChI=1S/C14H17N5O3/c1-7(2)8-4-11(21-3)9(19-20)5-10(8)22-12-6-17-14(16)18-13(12)15/h4-7H,1-3H3,(H4,15,16,17,18)
InChIKeyOLOGRLNTYUQGMA-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.96
Rot. Bonds5

About 5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (PubChem CID 88966587) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
PubChem CID88966587
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1N=O
InChIInChI=1S/C14H17N5O3/c1-7(2)8-4-11(21-3)9(19-20)5-10(8)22-12-6-17-14(16)18-13(12)15/h4-7H,1-3H3,(H4,15,16,17,18)
InChIKeyOLOGRLNTYUQGMA-UHFFFAOYSA-N
XLogP2.96
TPSA125.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (CID 88966587) is 5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1N=O.
What is the InChIKey of 5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The InChIKey is OLOGRLNTYUQGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-7(2)8-4-11(21-3)9(19-20)5-10(8)22-12-6-17-14(16)18-13(12)15/h4-7H,1-3H3,(H4,15,16,17,18).
What are the key properties of 5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine has a molecular weight of 303.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 88966587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).