N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

C18H24N4O2 — CID 112868473

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(OCCNc2cc(N3CCCC3)nc(C)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-14-20-17(13-18(21-14)22-10-3-4-11-22)19-9-12-24-16-7-5-15(23-2)6-8-16/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,20,21)
InChIKeyHZSRLZZAXTXBNT-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112868473) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112868473
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(OCCNc2cc(N3CCCC3)nc(C)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-14-20-17(13-18(21-14)22-10-3-4-11-22)19-9-12-24-16-7-5-15(23-2)6-8-16/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,20,21)
InChIKeyHZSRLZZAXTXBNT-UHFFFAOYSA-N
XLogP2.88
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.88
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

N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869875
6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 112869524
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
1-(4-methoxyphenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50944516
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869178
4-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112875821
6-N-[2-(dimethylamino)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870237
2-(4-methoxyphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492141
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
N-[2-(4-methoxyphenoxy)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942061
2,4-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491866

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112868473) is N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is COc1ccc(OCCNc2cc(N3CCCC3)nc(C)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is HZSRLZZAXTXBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-20-17(13-18(21-14)22-10-3-4-11-22)19-9-12-24-16-7-5-15(23-2)6-8-16/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,20,21).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112868473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).