2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile

C12H16N4O — CID 39248129

IUPAC2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile
SMILESCC(C)c1cc(C#N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H16N4O/c1-9(2)11-7-10(8-13)14-12(15-11)16-3-5-17-6-4-16/h7,9H,3-6H2,1-2H3
InChIKeyUYILUAOWWRSPMC-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.31
Rot. Bonds2

About 2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile

2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile (PubChem CID 39248129) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile
PubChem CID39248129
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile
SMILESCC(C)c1cc(C#N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H16N4O/c1-9(2)11-7-10(8-13)14-12(15-11)16-3-5-17-6-4-16/h7,9H,3-6H2,1-2H3
InChIKeyUYILUAOWWRSPMC-UHFFFAOYSA-N
XLogP1.31
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39348452
2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39360440
6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
CID 39380254
2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
CID 698584
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
CID 122532873
2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39377350
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone
CID 97416104
2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile
CID 116862851
2-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2-isocyanoacetonitrile;4-(4,6-dichloropyrimidin-2-yl)morpholine
CID 161152526
6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile
CID 107543287
4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345940
4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde
CID 83896564

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile?
The IUPAC name of 2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile (CID 39248129) is 2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile is CC(C)c1cc(C#N)nc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile?
The InChIKey is UYILUAOWWRSPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(2)11-7-10(8-13)14-12(15-11)16-3-5-17-6-4-16/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile?
2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 39248129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).