4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine

C11H12N4O — CID 63214957

IUPAC4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine
SMILESCOc1ccnc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C11H12N4O/c1-16-10-6-7-13-11(15-10)14-9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyDNILLVZDGRGJCT-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.81
Rot. Bonds3

About 4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine

4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine (PubChem CID 63214957) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine
PubChem CID63214957
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine
SMILESCOc1ccnc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C11H12N4O/c1-16-10-6-7-13-11(15-10)14-9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyDNILLVZDGRGJCT-UHFFFAOYSA-N
XLogP1.81
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine (CID 63214957) is 4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine is COc1ccnc(Nc2ccc(N)cc2)n1.
What is the InChIKey of 4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine?
The InChIKey is DNILLVZDGRGJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-16-10-6-7-13-11(15-10)14-9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15).
What are the key properties of 4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine?
4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine has a molecular weight of 216.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 63214957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).