3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol

C19H24N4O2 — CID 126447690

IUPAC3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol
SMILESNc1nc([C@H]2CCOC2)cc(N2CCC(c3cccc(O)c3)CC2)n1
InChIInChI=1S/C19H24N4O2/c20-19-21-17(15-6-9-25-12-15)11-18(22-19)23-7-4-13(5-8-23)14-2-1-3-16(24)10-14/h1-3,10-11,13,15,24H,4-9,12H2,(H2,20,21,22)/t15-/m0/s1
InChIKeySKYRDMVLTSAYCA-HNNXBMFYSA-N
MW340.43 g/mol
LogP2.65
Rot. Bonds3

About 3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol

3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol (PubChem CID 126447690) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol
PubChem CID126447690
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol
SMILESNc1nc([C@H]2CCOC2)cc(N2CCC(c3cccc(O)c3)CC2)n1
InChIInChI=1S/C19H24N4O2/c20-19-21-17(15-6-9-25-12-15)11-18(22-19)23-7-4-13(5-8-23)14-2-1-3-16(24)10-14/h1-3,10-11,13,15,24H,4-9,12H2,(H2,20,21,22)/t15-/m0/s1
InChIKeySKYRDMVLTSAYCA-HNNXBMFYSA-N
XLogP2.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol?
The IUPAC name of 3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol (CID 126447690) is 3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol?
The canonical SMILES for 3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol is Nc1nc([C@H]2CCOC2)cc(N2CCC(c3cccc(O)c3)CC2)n1.
What is the InChIKey of 3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol?
The InChIKey is SKYRDMVLTSAYCA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-19-21-17(15-6-9-25-12-15)11-18(22-19)23-7-4-13(5-8-23)14-2-1-3-16(24)10-14/h1-3,10-11,13,15,24H,4-9,12H2,(H2,20,21,22)/t15-/m0/s1.
What are the key properties of 3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol?
3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol has a molecular weight of 340.43 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol is sourced from PubChem (CID 126447690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).