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

C26H32N6O2 — CID 54586838

IUPAC2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccccc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1
InChIInChI=1S/C26H32N6O2/c1-20-5-3-4-6-24(20)30(2)25-7-8-27-26(29-25)28-21-17-22(31-9-13-33-14-10-31)19-23(18-21)32-11-15-34-16-12-32/h3-8,17-19H,9-16H2,1-2H3,(H,27,28,29)
InChIKeyVPZJPWYTYAAMDI-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.97
Rot. Bonds6

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

2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 54586838) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID54586838
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccccc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1
InChIInChI=1S/C26H32N6O2/c1-20-5-3-4-6-24(20)30(2)25-7-8-27-26(29-25)28-21-17-22(31-9-13-33-14-10-31)19-23(18-21)32-11-15-34-16-12-32/h3-8,17-19H,9-16H2,1-2H3,(H,27,28,29)
InChIKeyVPZJPWYTYAAMDI-UHFFFAOYSA-N
XLogP3.97
TPSA65.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.97
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-(2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (CID 54586838) is 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine is Cc1ccccc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1.
What is the InChIKey of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is VPZJPWYTYAAMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-20-5-3-4-6-24(20)30(2)25-7-8-27-26(29-25)28-21-17-22(31-9-13-33-14-10-31)19-23(18-21)32-11-15-34-16-12-32/h3-8,17-19H,9-16H2,1-2H3,(H,27,28,29).
What are the key properties of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 460.58 g/mol, XLogP of 3.97, 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-(2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 54586838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).