4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

C18H29N5O — CID 51614940

IUPAC4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1cc(CN2CCN(C[C@@H]3CCCO3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C18H29N5O/c1-2-8-23(7-1)18-19-6-5-16(20-18)14-21-9-11-22(12-10-21)15-17-4-3-13-24-17/h5-6,17H,1-4,7-15H2/t17-/m0/s1
InChIKeyXBWGYCSWLWDOOC-KRWDZBQOSA-N
MW331.46 g/mol
LogP1.37
Rot. Bonds5

About 4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 51614940) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID51614940
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1cc(CN2CCN(C[C@@H]3CCCO3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C18H29N5O/c1-2-8-23(7-1)18-19-6-5-16(20-18)14-21-9-11-22(12-10-21)15-17-4-3-13-24-17/h5-6,17H,1-4,7-15H2/t17-/m0/s1
InChIKeyXBWGYCSWLWDOOC-KRWDZBQOSA-N
XLogP1.37
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine with MolForge

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Related Compounds

4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 171327906
2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 51505424
4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine
CID 46967160
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 172899503
4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 51590087
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901310
N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
CID 46967148
2-(2,6-dimethylpyrimidin-4-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 110115987
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanamine
CID 92597906
(2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 124960811
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 124960812
N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 125027230

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (CID 51614940) is 4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is c1cc(CN2CCN(C[C@@H]3CCCO3)CC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is XBWGYCSWLWDOOC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-8-23(7-1)18-19-6-5-16(20-18)14-21-9-11-22(12-10-21)15-17-4-3-13-24-17/h5-6,17H,1-4,7-15H2/t17-/m0/s1.
What are the key properties of 4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 331.46 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 51614940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).