(2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol

C19H23N5O3 — CID 98841948

About (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol

(2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol (PubChem CID 98841948) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol.

Molecular Properties

• Compound Name: (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol
• PubChem CID: 98841948
• Molecular Formula: C19H23N5O3
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.18
• IUPAC Name: (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol
• SMILES: CN(C[C@@H](O)CO)c1ccnc(N(C)Cc2cc(-c3ccccc3)no2)n1
• InChI: InChI=1S/C19H23N5O3/c1-23(11-15(26)13-25)18-8-9-20-19(21-18)24(2)12-16-10-17(22-27-16)14-6-4-3-5-7-14/h3-10,15,25-26H,11-13H2,1-2H3/t15-/m1/s1
• InChIKey: JZVRUFCGCLLKAH-OAHLLOKOSA-N
• XLogP: 1.56
• TPSA: 98.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol?

The IUPAC name of (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol (CID 98841948) is (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol.

What is the SMILES notation for (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol?

The canonical SMILES for (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol is CN(C[C@@H](O)CO)c1ccnc(N(C)Cc2cc(-c3ccccc3)no2)n1.

What is the InChIKey of (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol?

The InChIKey is JZVRUFCGCLLKAH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-23(11-15(26)13-25)18-8-9-20-19(21-18)24(2)12-16-10-17(22-27-16)14-6-4-3-5-7-14/h3-10,15,25-26H,11-13H2,1-2H3/t15-/m1/s1.

What are the key properties of (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol?

(2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol has a molecular weight of 369.43 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[methyl-[2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 98841948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).