cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

C19H29N5O3 — CID 126444272

IUPACcyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(c2cc([C@H]3CCOC3)nc(NCCO)n2)CC1
InChIInChI=1S/C19H29N5O3/c25-10-5-20-19-21-16(15-4-11-27-13-15)12-17(22-19)23-6-8-24(9-7-23)18(26)14-2-1-3-14/h12,14-15,25H,1-11,13H2,(H,20,21,22)/t15-/m0/s1
InChIKeyNJCVJPRXNAFYEZ-HNNXBMFYSA-N
MW375.47 g/mol
LogP0.83
Rot. Bonds6

About cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 126444272) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID126444272
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Namecyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(c2cc([C@H]3CCOC3)nc(NCCO)n2)CC1
InChIInChI=1S/C19H29N5O3/c25-10-5-20-19-21-16(15-4-11-27-13-15)12-17(22-19)23-6-8-24(9-7-23)18(26)14-2-1-3-14/h12,14-15,25H,1-11,13H2,(H,20,21,22)/t15-/m0/s1
InChIKeyNJCVJPRXNAFYEZ-HNNXBMFYSA-N
XLogP0.83
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

2-[[4-[(3R)-oxolan-3-yl]-6-piperidin-1-ylpyrimidin-2-yl]amino]ethanol
CID 126431392
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126451809
2-[[4-(oxolan-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119060374
2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol
CID 126452524
2-[[4-[(3R)-oxolan-3-yl]-6-(4-propylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126424481
2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119065362
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126435809
2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol
CID 126425917
2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126446709
2-[[4-(2,2-diethylmorpholin-4-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126436985
2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
CID 126446619
2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430425

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 126444272) is cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is O=C(C1CCC1)N1CCN(c2cc([C@H]3CCOC3)nc(NCCO)n2)CC1.
What is the InChIKey of cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is NJCVJPRXNAFYEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N5O3/c25-10-5-20-19-21-16(15-4-11-27-13-15)12-17(22-19)23-6-8-24(9-7-23)18(26)14-2-1-3-14/h12,14-15,25H,1-11,13H2,(H,20,21,22)/t15-/m0/s1.
What are the key properties of cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 126444272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).