4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine

C16H26N4O — CID 136512880

IUPAC4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(N2CCN(CC3CCOC3)CC2)n1
InChIInChI=1S/C16H26N4O/c1-13(2)16-17-5-3-15(18-16)20-8-6-19(7-9-20)11-14-4-10-21-12-14/h3,5,13-14H,4,6-12H2,1-2H3
InChIKeyMCEHEVUFOIANBP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.76
Rot. Bonds4

About 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine

4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine (PubChem CID 136512880) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
PubChem CID136512880
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(N2CCN(CC3CCOC3)CC2)n1
InChIInChI=1S/C16H26N4O/c1-13(2)16-17-5-3-15(18-16)20-8-6-19(7-9-20)11-14-4-10-21-12-14/h3,5,13-14H,4,6-12H2,1-2H3
InChIKeyMCEHEVUFOIANBP-UHFFFAOYSA-N
XLogP1.76
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine
CID 124754745
4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 133335978
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 124842283
4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 133335948
5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 61312836
2-methyl-4-[1-[[(3R)-oxan-3-yl]methyl]piperidin-4-yl]pyrimidine
CID 124755852
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]aniline
CID 61312636
2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 136519236
7-bromo-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinoline
CID 133336011
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 95708715

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine (CID 136512880) is 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine is CC(C)c1nccc(N2CCN(CC3CCOC3)CC2)n1.
What is the InChIKey of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine?
The InChIKey is MCEHEVUFOIANBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(2)16-17-5-3-15(18-16)20-8-6-19(7-9-20)11-14-4-10-21-12-14/h3,5,13-14H,4,6-12H2,1-2H3.
What are the key properties of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine?
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine has a molecular weight of 290.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 136512880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).