3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol

C16H23N5O4 — CID 155130535

IUPAC3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol
SMILESCOc1cc(Oc2cnc(NCC(O)CO)nc2N)c(C(C)C)cn1
InChIInChI=1S/C16H23N5O4/c1-9(2)11-6-18-14(24-3)4-12(11)25-13-7-20-16(21-15(13)17)19-5-10(23)8-22/h4,6-7,9-10,22-23H,5,8H2,1-3H3,(H3,17,19,20,21)
InChIKeyAIFVUEFSGPOGLF-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.14
Rot. Bonds8

About 3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol

3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol (PubChem CID 155130535) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol
PubChem CID155130535
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol
SMILESCOc1cc(Oc2cnc(NCC(O)CO)nc2N)c(C(C)C)cn1
InChIInChI=1S/C16H23N5O4/c1-9(2)11-6-18-14(24-3)4-12(11)25-13-7-20-16(21-15(13)17)19-5-10(23)8-22/h4,6-7,9-10,22-23H,5,8H2,1-3H3,(H3,17,19,20,21)
InChIKeyAIFVUEFSGPOGLF-UHFFFAOYSA-N
XLogP1.14
TPSA135.64 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol (CID 155130535) is 3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol is COc1cc(Oc2cnc(NCC(O)CO)nc2N)c(C(C)C)cn1.
What is the InChIKey of 3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol?
The InChIKey is AIFVUEFSGPOGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-9(2)11-6-18-14(24-3)4-12(11)25-13-7-20-16(21-15(13)17)19-5-10(23)8-22/h4,6-7,9-10,22-23H,5,8H2,1-3H3,(H3,17,19,20,21).
What are the key properties of 3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol?
3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol has a molecular weight of 349.39 g/mol, XLogP of 1.14, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]propane-1,2-diol is sourced from PubChem (CID 155130535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).