4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine

C14H16ClN5O2 — CID 74250778

IUPAC4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1cc(-c2cc(N3CCOCC3)nc(N)n2)c(Cl)cn1
InChIInChI=1S/C14H16ClN5O2/c1-21-13-6-9(10(15)8-17-13)11-7-12(19-14(16)18-11)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3,(H2,16,18,19)
InChIKeyMIRQKOQXMSTOPP-UHFFFAOYSA-N
MW321.77 g/mol
LogP1.62
Rot. Bonds3

About 4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine

4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 74250778) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID74250778
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1cc(-c2cc(N3CCOCC3)nc(N)n2)c(Cl)cn1
InChIInChI=1S/C14H16ClN5O2/c1-21-13-6-9(10(15)8-17-13)11-7-12(19-14(16)18-11)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3,(H2,16,18,19)
InChIKeyMIRQKOQXMSTOPP-UHFFFAOYSA-N
XLogP1.62
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine (CID 74250778) is 4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine is COc1cc(-c2cc(N3CCOCC3)nc(N)n2)c(Cl)cn1.
What is the InChIKey of 4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is MIRQKOQXMSTOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-21-13-6-9(10(15)8-17-13)11-7-12(19-14(16)18-11)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3,(H2,16,18,19).
What are the key properties of 4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine?
4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 321.77 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 74250778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).