2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C18H20N6O2 — CID 112906210

IUPAC2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nccc(Nc3ccccc3N3CCOCC3)n2)no1
InChIInChI=1S/C18H20N6O2/c1-13-12-17(23-26-13)22-18-19-7-6-16(21-18)20-14-4-2-3-5-15(14)24-8-10-25-11-9-24/h2-7,12H,8-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyUJXQPHVGKDDPLR-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.10
Rot. Bonds5

About 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112906210) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112906210
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nccc(Nc3ccccc3N3CCOCC3)n2)no1
InChIInChI=1S/C18H20N6O2/c1-13-12-17(23-26-13)22-18-19-7-6-16(21-18)20-14-4-2-3-5-15(14)24-8-10-25-11-9-24/h2-7,12H,8-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyUJXQPHVGKDDPLR-UHFFFAOYSA-N
XLogP3.10
TPSA88.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-tert-butyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112899832
4-N-(2-morpholin-4-ylphenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882201
4-N-(3,4-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112902564
2-N-(3-methoxyphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904687
4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904072
2-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194788
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904936
2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112885027
1-[3-[[4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905634
4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112889811
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109222411

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 112906210) is 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Cc1cc(Nc2nccc(Nc3ccccc3N3CCOCC3)n2)no1.
What is the InChIKey of 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is UJXQPHVGKDDPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13-12-17(23-26-13)22-18-19-7-6-16(21-18)20-14-4-2-3-5-15(14)24-8-10-25-11-9-24/h2-7,12H,8-11H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 352.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112906210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).