2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol

C19H31N5O2 — CID 126451809

IUPAC2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc([C@H]2CCOC2)cc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C19H31N5O2/c25-11-6-20-19-21-17(15-5-12-26-14-15)13-18(22-19)24-9-3-16(4-10-24)23-7-1-2-8-23/h13,15-16,25H,1-12,14H2,(H,20,21,22)/t15-/m0/s1
InChIKeyGNIRCBJSMUKBTJ-HNNXBMFYSA-N
MW361.49 g/mol
LogP1.45
Rot. Bonds6

About 2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol

2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 126451809) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
PubChem CID126451809
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc([C@H]2CCOC2)cc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C19H31N5O2/c25-11-6-20-19-21-17(15-5-12-26-14-15)13-18(22-19)24-9-3-16(4-10-24)23-7-1-2-8-23/h13,15-16,25H,1-12,14H2,(H,20,21,22)/t15-/m0/s1
InChIKeyGNIRCBJSMUKBTJ-HNNXBMFYSA-N
XLogP1.45
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol (CID 126451809) is 2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol is OCCNc1nc([C@H]2CCOC2)cc(N2CCC(N3CCCC3)CC2)n1.
What is the InChIKey of 2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is GNIRCBJSMUKBTJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N5O2/c25-11-6-20-19-21-17(15-5-12-26-14-15)13-18(22-19)24-9-3-16(4-10-24)23-7-1-2-8-23/h13,15-16,25H,1-12,14H2,(H,20,21,22)/t15-/m0/s1.
What are the key properties of 2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol?
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 361.49 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126451809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).