4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one

C12H16F3N3O2 — CID 137145764

IUPAC4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CN(CCC(F)(F)F)CCO2)n1
InChIInChI=1S/C12H16F3N3O2/c1-8-6-10(19)17-11(16-8)9-7-18(4-5-20-9)3-2-12(13,14)15/h6,9H,2-5,7H2,1H3,(H,16,17,19)/t9-/m1/s1
InChIKeyMRLHAVQWIQPDHI-SECBINFHSA-N
MW291.27 g/mol
LogP1.40
Rot. Bonds3

About 4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one

4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137145764) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137145764
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CN(CCC(F)(F)F)CCO2)n1
InChIInChI=1S/C12H16F3N3O2/c1-8-6-10(19)17-11(16-8)9-7-18(4-5-20-9)3-2-12(13,14)15/h6,9H,2-5,7H2,1H3,(H,16,17,19)/t9-/m1/s1
InChIKeyMRLHAVQWIQPDHI-SECBINFHSA-N
XLogP1.40
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2,6-Dimethylmorpholino)methyl]-2-isopropyl-4-pyrimidinol
CID 135501747
2-[4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136844269
4-methyl-2-[4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844331
5-fluoro-4-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136293539
5-fluoro-4-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136294514
2-(4-ethylmorpholin-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136295876
5-fluoro-4-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136295906
4-[(2-methoxyethylamino)methyl]-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842549
2-[2-(2,2-difluoroethoxy)ethyl]-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136842550
4-(propylaminomethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136890499
4-(propylaminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890500
4-[(2-methoxyethylamino)methyl]-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890507

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one (CID 137145764) is 4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@H]2CN(CCC(F)(F)F)CCO2)n1.
What is the InChIKey of 4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is MRLHAVQWIQPDHI-SECBINFHSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-8-6-10(19)17-11(16-8)9-7-18(4-5-20-9)3-2-12(13,14)15/h6,9H,2-5,7H2,1H3,(H,16,17,19)/t9-/m1/s1.
What are the key properties of 4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 291.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2R)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137145764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).