4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine

C17H28N4O — CID 99714323

IUPAC4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine
SMILESCc1cc(N2CCC[C@@H]2CN2CCOCC2)nc(C(C)C)n1
InChIInChI=1S/C17H28N4O/c1-13(2)17-18-14(3)11-16(19-17)21-6-4-5-15(21)12-20-7-9-22-10-8-20/h11,13,15H,4-10,12H2,1-3H3/t15-/m1/s1
InChIKeyQQJLNCVDKQQZQW-OAHLLOKOSA-N
MW304.44 g/mol
LogP2.21
Rot. Bonds4

About 4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine

4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine (PubChem CID 99714323) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine
PubChem CID99714323
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine
SMILESCc1cc(N2CCC[C@@H]2CN2CCOCC2)nc(C(C)C)n1
InChIInChI=1S/C17H28N4O/c1-13(2)17-18-14(3)11-16(19-17)21-6-4-5-15(21)12-20-7-9-22-10-8-20/h11,13,15H,4-10,12H2,1-3H3/t15-/m1/s1
InChIKeyQQJLNCVDKQQZQW-OAHLLOKOSA-N
XLogP2.21
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine (CID 99714323) is 4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine is Cc1cc(N2CCC[C@@H]2CN2CCOCC2)nc(C(C)C)n1.
What is the InChIKey of 4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is QQJLNCVDKQQZQW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(2)17-18-14(3)11-16(19-17)21-6-4-5-15(21)12-20-7-9-22-10-8-20/h11,13,15H,4-10,12H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine?
4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 304.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 99714323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).