5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine

C18H20N8O2 — CID 59198371

IUPAC5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine
SMILESCOc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3N)n2)c1
InChIInChI=1S/C18H20N8O2/c1-27-12-6-11(8-21-9-12)14-7-15(26-2-4-28-5-3-26)24-17(23-14)13-10-22-18(20)25-16(13)19/h6-10H,2-5H2,1H3,(H4,19,20,22,25)
InChIKeyWSQCUCGVRZXGJZ-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.01
Rot. Bonds4

About 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine

5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine (PubChem CID 59198371) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine
PubChem CID59198371
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine
SMILESCOc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3N)n2)c1
InChIInChI=1S/C18H20N8O2/c1-27-12-6-11(8-21-9-12)14-7-15(26-2-4-28-5-3-26)24-17(23-14)13-10-22-18(20)25-16(13)19/h6-10H,2-5H2,1H3,(H4,19,20,22,25)
InChIKeyWSQCUCGVRZXGJZ-UHFFFAOYSA-N
XLogP1.01
TPSA138.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine (CID 59198371) is 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine is COc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3N)n2)c1.
What is the InChIKey of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine?
The InChIKey is WSQCUCGVRZXGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-27-12-6-11(8-21-9-12)14-7-15(26-2-4-28-5-3-26)24-17(23-14)13-10-22-18(20)25-16(13)19/h6-10H,2-5H2,1H3,(H4,19,20,22,25).
What are the key properties of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine?
5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine has a molecular weight of 380.41 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59198371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).