4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol

C15H24N4O3 — CID 163354487

IUPAC4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
SMILESCOc1cc(N2CCN(CC3(O)CCOCC3)CC2)ncn1
InChIInChI=1S/C15H24N4O3/c1-21-14-10-13(16-12-17-14)19-6-4-18(5-7-19)11-15(20)2-8-22-9-3-15/h10,12,20H,2-9,11H2,1H3
InChIKeyJKCAOROCQRZRAX-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.15
Rot. Bonds4

About 4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol

4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol (PubChem CID 163354487) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
PubChem CID163354487
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
SMILESCOc1cc(N2CCN(CC3(O)CCOCC3)CC2)ncn1
InChIInChI=1S/C15H24N4O3/c1-21-14-10-13(16-12-17-14)19-6-4-18(5-7-19)11-15(20)2-8-22-9-3-15/h10,12,20H,2-9,11H2,1H3
InChIKeyJKCAOROCQRZRAX-UHFFFAOYSA-N
XLogP0.15
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
CID 163354551
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
4-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-6-methoxypyrimidine
CID 165433836
4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
CID 84734865
1-[[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163351063
2-[2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163346191
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 134070744
4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
CID 46133605
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol (CID 163354487) is 4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol is COc1cc(N2CCN(CC3(O)CCOCC3)CC2)ncn1.
What is the InChIKey of 4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol?
The InChIKey is JKCAOROCQRZRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-21-14-10-13(16-12-17-14)19-6-4-18(5-7-19)11-15(20)2-8-22-9-3-15/h10,12,20H,2-9,11H2,1H3.
What are the key properties of 4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol?
4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol has a molecular weight of 308.38 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 163354487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).