4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C19H23N5O2 — CID 137131701

IUPAC4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCn1c(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)nc2ccccc21
InChIInChI=1S/C19H23N5O2/c1-23-17-5-3-2-4-16(17)22-18(23)12-24-8-9-26-15(11-24)7-6-14-10-19(25)21-13-20-14/h2-5,10,13,15H,6-9,11-12H2,1H3,(H,20,21,25)/t15-/m0/s1
InChIKeyYRXTXLXPCPMQAY-HNNXBMFYSA-N
MW353.43 g/mol
LogP1.49
Rot. Bonds5

About 4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 137131701) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID137131701
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCn1c(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)nc2ccccc21
InChIInChI=1S/C19H23N5O2/c1-23-17-5-3-2-4-16(17)22-18(23)12-24-8-9-26-15(11-24)7-6-14-10-19(25)21-13-20-14/h2-5,10,13,15H,6-9,11-12H2,1H3,(H,20,21,25)/t15-/m0/s1
InChIKeyYRXTXLXPCPMQAY-HNNXBMFYSA-N
XLogP1.49
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844694
4-[2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844744
4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037874
4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140068
4-[2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844775
4-[2-[(2R)-4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137149630
4-[2-[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844671
4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137052897
4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140144
2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137166499
4-[2-[(2R)-4-(6-methyl-2-pyridinyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137145761
3-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959757

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 137131701) is 4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is Cn1c(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)nc2ccccc21.
What is the InChIKey of 4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is YRXTXLXPCPMQAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-17-5-3-2-4-16(17)22-18(23)12-24-8-9-26-15(11-24)7-6-14-10-19(25)21-13-20-14/h2-5,10,13,15H,6-9,11-12H2,1H3,(H,20,21,25)/t15-/m0/s1.
What are the key properties of 4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 353.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137131701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).