6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine

C19H26FN5O — CID 151226842

IUPAC6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(CC1CCNCC1)c1cc(NCCOc2ccccc2F)ncn1
InChIInChI=1S/C19H26FN5O/c1-25(13-15-6-8-21-9-7-15)19-12-18(23-14-24-19)22-10-11-26-17-5-3-2-4-16(17)20/h2-5,12,14-15,21H,6-11,13H2,1H3,(H,22,23,24)
InChIKeyNNLJXMZXVUAYTJ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.54
Rot. Bonds8

About 6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine

6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 151226842) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID151226842
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(CC1CCNCC1)c1cc(NCCOc2ccccc2F)ncn1
InChIInChI=1S/C19H26FN5O/c1-25(13-15-6-8-21-9-7-15)19-12-18(23-14-24-19)22-10-11-26-17-5-3-2-4-16(17)20/h2-5,12,14-15,21H,6-11,13H2,1H3,(H,22,23,24)
InChIKeyNNLJXMZXVUAYTJ-UHFFFAOYSA-N
XLogP2.54
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine (CID 151226842) is 6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine is CN(CC1CCNCC1)c1cc(NCCOc2ccccc2F)ncn1.
What is the InChIKey of 6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is NNLJXMZXVUAYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-25(13-15-6-8-21-9-7-15)19-12-18(23-14-24-19)22-10-11-26-17-5-3-2-4-16(17)20/h2-5,12,14-15,21H,6-11,13H2,1H3,(H,22,23,24).
What are the key properties of 6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine?
6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 359.45 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(2-fluorophenoxy)ethyl]-4-N-methyl-4-N-(piperidin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 151226842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).