N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine

C12H20N4O — CID 112886592

IUPACN,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCN(CC)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C12H20N4O/c1-3-15(4-2)11-5-6-13-12(14-11)16-7-9-17-10-8-16/h5-6H,3-4,7-10H2,1-2H3
InChIKeyDCXNZEMJRAYLOH-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.16
Rot. Bonds4

About N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine

N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 112886592) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID112886592
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCN(CC)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C12H20N4O/c1-3-15(4-2)11-5-6-13-12(14-11)16-7-9-17-10-8-16/h5-6H,3-4,7-10H2,1-2H3
InChIKeyDCXNZEMJRAYLOH-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Hydroxymethyl-4-(4-(N,N-dimethylaminosulfonyl)-1-piperazino)pyrimidine
CID 132302
4-(4-Chloropyrimidin-2-yl)morpholine
CID 824643
4-(6-Chloropyrimidin-4-yl)morpholine
CID 796070
4-[2-(1-Hydroxy-ethyl)-pyrimidin-4-yl]-piperazine-1-sulfonic acid dimethylamide
CID 9948799
4-[2-(1-Methoxy-ethyl)-pyrimidin-4-yl]-piperazine-1-sulfonic acid dimethylamide
CID 11056575
4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 11067034
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
4-(4-Methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
CID 25130913
4-N-(3-methoxy-2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 122536475
4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
US11091488, Example 51
CID 129195635
4-(2-Hydrazinylpyrimidin-4-yl)morpholine
CID 46779831

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine (CID 112886592) is N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine is CCN(CC)c1ccnc(N2CCOCC2)n1.
What is the InChIKey of N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is DCXNZEMJRAYLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-15(4-2)11-5-6-13-12(14-11)16-7-9-17-10-8-16/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine?
N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 112886592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).