2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine

C22H32N8O2 — CID 158755633

IUPAC2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine
SMILESCc1ncc(C(C#N)N2CCOCC2)cn1.Cc1ncc(C(CN)N2CCOCC2)cn1
InChIInChI=1S/C11H18N4O.C11H14N4O/c2*1-9-13-7-10(8-14-9)11(6-12)15-2-4-16-5-3-15/h7-8,11H,2-6,12H2,1H3;7-8,11H,2-5H2,1H3
InChIKeyIOAQIUVJDHAGDP-UHFFFAOYSA-N
MW440.55 g/mol
LogP0.80
Rot. Bonds5

About 2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine

2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine (PubChem CID 158755633) has the molecular formula C22H32N8O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine
PubChem CID158755633
Molecular FormulaC22H32N8O2
Molecular Weight440.55 g/mol
Exact Mass440.26
IUPAC Name2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine
SMILESCc1ncc(C(C#N)N2CCOCC2)cn1.Cc1ncc(C(CN)N2CCOCC2)cn1
InChIInChI=1S/C11H18N4O.C11H14N4O/c2*1-9-13-7-10(8-14-9)11(6-12)15-2-4-16-5-3-15/h7-8,11H,2-6,12H2,1H3;7-8,11H,2-5H2,1H3
InChIKeyIOAQIUVJDHAGDP-UHFFFAOYSA-N
XLogP0.80
TPSA126.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine
CID 58508197
4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334504
4-(difluoromethyl)-5-[4-[(3R)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 146346677
5-[4-[4-(2-Aminoethyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 58508112
2-(2-aminopyrimidin-5-yl)-5-methyl-N-[1-(3-methylpiperazin-1-yl)ethenyl]-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 89076836
4-(Difluoromethyl)-5-(4-morpholin-4-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine
CID 121334394
5-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine
CID 121334406
4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334492
5-[4,6-Bis(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyrimidin-2-amine
CID 121334493
4-(Difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334495
4-(Difluoromethyl)-5-[4-(3-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121334508
4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 164754574

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine (CID 158755633) is 2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine is Cc1ncc(C(C#N)N2CCOCC2)cn1.Cc1ncc(C(CN)N2CCOCC2)cn1.
What is the InChIKey of 2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine?
The InChIKey is IOAQIUVJDHAGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.C11H14N4O/c2*1-9-13-7-10(8-14-9)11(6-12)15-2-4-16-5-3-15/h7-8,11H,2-6,12H2,1H3;7-8,11H,2-5H2,1H3.
What are the key properties of 2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine?
2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine has a molecular weight of 440.55 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylacetonitrile;2-(2-methylpyrimidin-5-yl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 158755633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).