4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine

C22H25N5O2 — CID 57394236

IUPAC4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3cccc(OC)c3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C22H25N5O2/c1-28-18-10-8-16(9-11-18)23-20-15-21(24-17-6-5-7-19(14-17)29-2)26-22(25-20)27-12-3-4-13-27/h5-11,14-15H,3-4,12-13H2,1-2H3,(H2,23,24,25,26)
InChIKeyVVZIGLIXUCURNW-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.58
Rot. Bonds7

About 4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine

4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine (PubChem CID 57394236) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
PubChem CID57394236
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3cccc(OC)c3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C22H25N5O2/c1-28-18-10-8-16(9-11-18)23-20-15-21(24-17-6-5-7-19(14-17)29-2)26-22(25-20)27-12-3-4-13-27/h5-11,14-15H,3-4,12-13H2,1-2H3,(H2,23,24,25,26)
InChIKeyVVZIGLIXUCURNW-UHFFFAOYSA-N
XLogP4.58
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine (CID 57394236) is 4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine is COc1ccc(Nc2cc(Nc3cccc(OC)c3)nc(N3CCCC3)n2)cc1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine?
The InChIKey is VVZIGLIXUCURNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-28-18-10-8-16(9-11-18)23-20-15-21(24-17-6-5-7-19(14-17)29-2)26-22(25-20)27-12-3-4-13-27/h5-11,14-15H,3-4,12-13H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine?
4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine has a molecular weight of 391.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 57394236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).