2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine

C19H24N4O — CID 124754745

IUPAC2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine
SMILESc1ccc(-c2ccnc(N3CCN(C[C@@H]4CCOC4)CC3)n2)cc1
InChIInChI=1S/C19H24N4O/c1-2-4-17(5-3-1)18-6-8-20-19(21-18)23-11-9-22(10-12-23)14-16-7-13-24-15-16/h1-6,8,16H,7,9-15H2/t16-/m0/s1
InChIKeyOWEVKRVUEFPGEA-INIZCTEOSA-N
MW324.43 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine

2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine (PubChem CID 124754745) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine.

Molecular Properties

Compound Name2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine
PubChem CID124754745
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine
SMILESc1ccc(-c2ccnc(N3CCN(C[C@@H]4CCOC4)CC3)n2)cc1
InChIInChI=1S/C19H24N4O/c1-2-4-17(5-3-1)18-6-8-20-19(21-18)23-11-9-22(10-12-23)14-16-7-13-24-15-16/h1-6,8,16H,7,9-15H2/t16-/m0/s1
InChIKeyOWEVKRVUEFPGEA-INIZCTEOSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
CID 136512880
4-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 124758734
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 91834549
1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 124842283
1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine
CID 97329750
5-[[4-(oxolan-3-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 78896828
4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
CID 91834020
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133335933
1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]-2-pyrrolidin-3-ylethanone
CID 74239749
5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 61312836
4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 97318478

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine?
The IUPAC name of 2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine (CID 124754745) is 2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine.
What is the SMILES notation for 2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine?
The canonical SMILES for 2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine is c1ccc(-c2ccnc(N3CCN(C[C@@H]4CCOC4)CC3)n2)cc1.
What is the InChIKey of 2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine?
The InChIKey is OWEVKRVUEFPGEA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-4-17(5-3-1)18-6-8-20-19(21-18)23-11-9-22(10-12-23)14-16-7-13-24-15-16/h1-6,8,16H,7,9-15H2/t16-/m0/s1.
What are the key properties of 2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine?
2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine has a molecular weight of 324.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine is sourced from PubChem (CID 124754745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).