2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile

C25H28N8O2 — CID 90369595

IUPAC2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCC1CN(c2ncc(-c3ccnc(Nc4ccc(CN5CCOCC5)nc4)n3)cc2C#N)CCO1
InChIInChI=1S/C25H28N8O2/c1-18-16-33(8-11-35-18)24-19(13-26)12-20(14-29-24)23-4-5-27-25(31-23)30-21-2-3-22(28-15-21)17-32-6-9-34-10-7-32/h2-5,12,14-15,18H,6-11,16-17H2,1H3,(H,27,30,31)
InChIKeyNWHSVCZMJSLNPM-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.61
Rot. Bonds6

About 2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile

2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile (PubChem CID 90369595) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
PubChem CID90369595
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESCC1CN(c2ncc(-c3ccnc(Nc4ccc(CN5CCOCC5)nc4)n3)cc2C#N)CCO1
InChIInChI=1S/C25H28N8O2/c1-18-16-33(8-11-35-18)24-19(13-26)12-20(14-29-24)23-4-5-27-25(31-23)30-21-2-3-22(28-15-21)17-32-6-9-34-10-7-32/h2-5,12,14-15,18H,6-11,16-17H2,1H3,(H,27,30,31)
InChIKeyNWHSVCZMJSLNPM-UHFFFAOYSA-N
XLogP2.61
TPSA112.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile (CID 90369595) is 2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile is CC1CN(c2ncc(-c3ccnc(Nc4ccc(CN5CCOCC5)nc4)n3)cc2C#N)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is NWHSVCZMJSLNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-18-16-33(8-11-35-18)24-19(13-26)12-20(14-29-24)23-4-5-27-25(31-23)30-21-2-3-22(28-15-21)17-32-6-9-34-10-7-32/h2-5,12,14-15,18H,6-11,16-17H2,1H3,(H,27,30,31).
What are the key properties of 2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 472.55 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 90369595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).