4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine

C23H28N4O2 — CID 112881558

IUPAC4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(NCCOc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H28N4O2/c1-4-27(5-2)22-17-21(25-23(26-22)18-9-7-6-8-10-18)24-15-16-29-20-13-11-19(28-3)12-14-20/h6-14,17H,4-5,15-16H2,1-3H3,(H,24,25,26)
InChIKeyUOPCHRMQVUXUIN-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.49
Rot. Bonds10

About 4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine

4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine (PubChem CID 112881558) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine
PubChem CID112881558
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(NCCOc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H28N4O2/c1-4-27(5-2)22-17-21(25-23(26-22)18-9-7-6-8-10-18)24-15-16-29-20-13-11-19(28-3)12-14-20/h6-14,17H,4-5,15-16H2,1-3H3,(H,24,25,26)
InChIKeyUOPCHRMQVUXUIN-UHFFFAOYSA-N
XLogP4.49
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879637
4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
CID 112879814
4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880369
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874276
4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933451
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
2-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933302
6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine
CID 112881588
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
CID 796090

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine (CID 112881558) is 4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine is CCN(CC)c1cc(NCCOc2ccc(OC)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine?
The InChIKey is UOPCHRMQVUXUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-27(5-2)22-17-21(25-23(26-22)18-9-7-6-8-10-18)24-15-16-29-20-13-11-19(28-3)12-14-20/h6-14,17H,4-5,15-16H2,1-3H3,(H,24,25,26).
What are the key properties of 4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine?
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine has a molecular weight of 392.50 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112881558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).