2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine

C25H30N6O2 — CID 25014762

IUPAC2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1
InChIInChI=1S/C25H30N6O2/c1-29(21-5-3-2-4-6-21)24-7-8-26-25(28-24)27-20-17-22(30-9-13-32-14-10-30)19-23(18-20)31-11-15-33-16-12-31/h2-8,17-19H,9-16H2,1H3,(H,26,27,28)
InChIKeySPIWOLIEUWRHGI-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.66
Rot. Bonds6

About 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine

2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 25014762) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID25014762
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1
InChIInChI=1S/C25H30N6O2/c1-29(21-5-3-2-4-6-21)24-7-8-26-25(28-24)27-20-17-22(30-9-13-32-14-10-30)19-23(18-20)31-11-15-33-16-12-31/h2-8,17-19H,9-16H2,1H3,(H,26,27,28)
InChIKeySPIWOLIEUWRHGI-UHFFFAOYSA-N
XLogP3.66
TPSA65.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 25014762) is 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is CN(c1ccccc1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1.
What is the InChIKey of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is SPIWOLIEUWRHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-29(21-5-3-2-4-6-21)24-7-8-26-25(28-24)27-20-17-22(30-9-13-32-14-10-30)19-23(18-20)31-11-15-33-16-12-31/h2-8,17-19H,9-16H2,1H3,(H,26,27,28).
What are the key properties of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 446.56 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 25014762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).