6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine

C22H26N4O2 — CID 112863659

IUPAC6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OCCNc2cc(Nc3ccccc3C(C)C)ncn2)cc1
InChIInChI=1S/C22H26N4O2/c1-16(2)19-6-4-5-7-20(19)26-22-14-21(24-15-25-22)23-12-13-28-18-10-8-17(27-3)9-11-18/h4-11,14-16H,12-13H2,1-3H3,(H2,23,24,25,26)
InChIKeyXSTYGLRMZVBOGS-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.84
Rot. Bonds9

About 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine

6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112863659) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112863659
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OCCNc2cc(Nc3ccccc3C(C)C)ncn2)cc1
InChIInChI=1S/C22H26N4O2/c1-16(2)19-6-4-5-7-20(19)26-22-14-21(24-15-25-22)23-12-13-28-18-10-8-17(27-3)9-11-18/h4-11,14-16H,12-13H2,1-3H3,(H2,23,24,25,26)
InChIKeyXSTYGLRMZVBOGS-UHFFFAOYSA-N
XLogP4.84
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958758
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855321
6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112864112
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112860115
6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112858799
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
4-N-[2,6-di(propan-2-yl)phenyl]-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856803
4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112875858
N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357562
N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
6-N-(2-methoxyethyl)-2-phenyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112880306

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 112863659) is 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is COc1ccc(OCCNc2cc(Nc3ccccc3C(C)C)ncn2)cc1.
What is the InChIKey of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is XSTYGLRMZVBOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(2)19-6-4-5-7-20(19)26-22-14-21(24-15-25-22)23-12-13-28-18-10-8-17(27-3)9-11-18/h4-11,14-16H,12-13H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 378.48 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112863659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).