2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

C18H26N4O2 — CID 112899521

IUPAC2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(OCCNc2nccc(NCCC(C)C)n2)cc1
InChIInChI=1S/C18H26N4O2/c1-14(2)8-10-19-17-9-11-20-18(22-17)21-12-13-24-16-6-4-15(23-3)5-7-16/h4-7,9,11,14H,8,10,12-13H2,1-3H3,(H2,19,20,21,22)
InChIKeyRYCNQYBIPULHED-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.43
Rot. Bonds10

About 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112899521) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112899521
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(OCCNc2nccc(NCCC(C)C)n2)cc1
InChIInChI=1S/C18H26N4O2/c1-14(2)8-10-19-17-9-11-20-18(22-17)21-12-13-24-16-6-4-15(23-3)5-7-16/h4-7,9,11,14H,8,10,12-13H2,1-3H3,(H2,19,20,21,22)
InChIKeyRYCNQYBIPULHED-UHFFFAOYSA-N
XLogP3.43
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.43
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

2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
2-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924535
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892411
4-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112875821
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112895255
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112895145
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112894692
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112899527
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892289
2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 133345400
2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112882404
4-N-(2,3-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112899539

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112899521) is 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is COc1ccc(OCCNc2nccc(NCCC(C)C)n2)cc1.
What is the InChIKey of 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is RYCNQYBIPULHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(2)8-10-19-17-9-11-20-18(22-17)21-12-13-24-16-6-4-15(23-3)5-7-16/h4-7,9,11,14H,8,10,12-13H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 330.43 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).