4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine

C14H22N4O — CID 133335978

IUPAC4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(CC3CCOC3)CC2)ncn1
InChIInChI=1S/C14H22N4O/c1-12-8-14(16-11-15-12)18-5-3-17(4-6-18)9-13-2-7-19-10-13/h8,11,13H,2-7,9-10H2,1H3
InChIKeyCHDYLPDJBDBUAZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.94
Rot. Bonds3

About 4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine

4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 133335978) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID133335978
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(CC3CCOC3)CC2)ncn1
InChIInChI=1S/C14H22N4O/c1-12-8-14(16-11-15-12)18-5-3-17(4-6-18)9-13-2-7-19-10-13/h8,11,13H,2-7,9-10H2,1H3
InChIKeyCHDYLPDJBDBUAZ-UHFFFAOYSA-N
XLogP0.94
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133335943
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
CID 136512880
N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 165431760
2-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]thiolane 1,1-dioxide
CID 138018958
4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 133335948
2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 61225493
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133335896
2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 165432124
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 61225491

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine (CID 133335978) is 4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine is Cc1cc(N2CCN(CC3CCOC3)CC2)ncn1.
What is the InChIKey of 4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is CHDYLPDJBDBUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12-8-14(16-11-15-12)18-5-3-17(4-6-18)9-13-2-7-19-10-13/h8,11,13H,2-7,9-10H2,1H3.
What are the key properties of 4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine?
4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 262.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133335978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).