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

C17H25N5O2 — CID 137140068

IUPAC4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCCCn1cc(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cn1
InChIInChI=1S/C17H25N5O2/c1-2-5-22-11-14(9-20-22)10-21-6-7-24-16(12-21)4-3-15-8-17(23)19-13-18-15/h8-9,11,13,16H,2-7,10,12H2,1H3,(H,18,19,23)/t16-/m0/s1
InChIKeyPADCJVCBQJFYBJ-INIZCTEOSA-N
MW331.42 g/mol
LogP1.21
Rot. Bonds7

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

4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 137140068) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID137140068
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCCCn1cc(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cn1
InChIInChI=1S/C17H25N5O2/c1-2-5-22-11-14(9-20-22)10-21-6-7-24-16(12-21)4-3-15-8-17(23)19-13-18-15/h8-9,11,13,16H,2-7,10,12H2,1H3,(H,18,19,23)/t16-/m0/s1
InChIKeyPADCJVCBQJFYBJ-INIZCTEOSA-N
XLogP1.21
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844775
4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140144
4-[2-[(2R)-4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137149630
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 103573426
4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844694
4-[2-[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844671
4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137131701
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-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137052897
4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140053
4-[2-[(2S)-4-[2-(4-methylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140122

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 137140068) is 4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is CCCn1cc(CN2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cn1.
What is the InChIKey of 4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is PADCJVCBQJFYBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-5-22-11-14(9-20-22)10-21-6-7-24-16(12-21)4-3-15-8-17(23)19-13-18-15/h8-9,11,13,16H,2-7,10,12H2,1H3,(H,18,19,23)/t16-/m0/s1.
What are the key properties of 4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 331.42 g/mol, XLogP of 1.21, 7 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-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137140068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).