4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile

C14H21N5O — CID 80849282

IUPAC4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile
SMILESCCNc1ncnc(N2CCOC(C#N)C2)c1C(C)C
InChIInChI=1S/C14H21N5O/c1-4-16-13-12(10(2)3)14(18-9-17-13)19-5-6-20-11(7-15)8-19/h9-11H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeyQKEKMPOPZPJVLG-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.76
Rot. Bonds4

About 4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile

4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile (PubChem CID 80849282) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile
PubChem CID80849282
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile
SMILESCCNc1ncnc(N2CCOC(C#N)C2)c1C(C)C
InChIInChI=1S/C14H21N5O/c1-4-16-13-12(10(2)3)14(18-9-17-13)19-5-6-20-11(7-15)8-19/h9-11H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeyQKEKMPOPZPJVLG-UHFFFAOYSA-N
XLogP1.76
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-propyl-6-(propylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
CID 80837574
N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80816600
4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile
CID 103880094
N-ethyl-6-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80795362
4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile
CID 80991624
N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 102971342
N-ethyl-6-(2-ethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80788166
4-quinazolin-4-ylmorpholine-2-carbonitrile
CID 78946478
6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80822136
N-ethyl-6-(2-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80775470
1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967468
6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80749906

Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile (CID 80849282) is 4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile is CCNc1ncnc(N2CCOC(C#N)C2)c1C(C)C.
What is the InChIKey of 4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile?
The InChIKey is QKEKMPOPZPJVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-16-13-12(10(2)3)14(18-9-17-13)19-5-6-20-11(7-15)8-19/h9-11H,4-6,8H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile?
4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile has a molecular weight of 275.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile is sourced from PubChem (CID 80849282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).