2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one

C16H23N5O2 — CID 137169722

IUPAC2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCCCn1ccnc1CN1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C16H23N5O2/c1-3-5-21-6-4-17-15(21)11-20-7-8-23-14(10-20)13-9-16(22)19-12(2)18-13/h4,6,9,14H,3,5,7-8,10-11H2,1-2H3,(H,18,19,22)/t14-/m1/s1
InChIKeyBLYIHQSJKIJTLN-CQSZACIVSA-N
MW317.39 g/mol
LogP1.26
Rot. Bonds5

About 2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one

2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137169722) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137169722
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCCCn1ccnc1CN1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C16H23N5O2/c1-3-5-21-6-4-17-15(21)11-20-7-8-23-14(10-20)13-9-16(22)19-12(2)18-13/h4,6,9,14H,3,5,7-8,10-11H2,1-2H3,(H,18,19,22)/t14-/m1/s1
InChIKeyBLYIHQSJKIJTLN-CQSZACIVSA-N
XLogP1.26
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one (CID 137169722) is 2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one is CCCn1ccnc1CN1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is BLYIHQSJKIJTLN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-5-21-6-4-17-15(21)11-20-7-8-23-14(10-20)13-9-16(22)19-12(2)18-13/h4,6,9,14H,3,5,7-8,10-11H2,1-2H3,(H,18,19,22)/t14-/m1/s1.
What are the key properties of 2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 317.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137169722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).