trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol

C13H20N4O2 — CID 167811246

IUPACtrans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
SMILESCOc1ccnc(N2CCN([C@@H]3CC[C@H]3O)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-19-12-4-5-14-13(15-12)17-8-6-16(7-9-17)10-2-3-11(10)18/h4-5,10-11,18H,2-3,6-9H2,1H3/t10-,11-/m1/s1
InChIKeyAVRDSWGRDGEHOU-GHMZBOCLSA-N
MW264.33 g/mol
LogP0.13
Rot. Bonds3

About trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol

trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol (PubChem CID 167811246) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
PubChem CID167811246
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nametrans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
SMILESCOc1ccnc(N2CCN([C@@H]3CC[C@H]3O)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-19-12-4-5-14-13(15-12)17-8-6-16(7-9-17)10-2-3-11(10)18/h4-5,10-11,18H,2-3,6-9H2,1H3/t10-,11-/m1/s1
InChIKeyAVRDSWGRDGEHOU-GHMZBOCLSA-N
XLogP0.13
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol with MolForge

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Related Compounds

4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine
CID 131891424
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031
4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 66195619
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 146078262
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol
CID 75511384
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351031

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol (CID 167811246) is trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol is COc1ccnc(N2CCN([C@@H]3CC[C@H]3O)CC2)n1.
What is the InChIKey of trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol?
The InChIKey is AVRDSWGRDGEHOU-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-12-4-5-14-13(15-12)17-8-6-16(7-9-17)10-2-3-11(10)18/h4-5,10-11,18H,2-3,6-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol?
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol has a molecular weight of 264.33 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 167811246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).