2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol

C20H26N4O3 — CID 126442787

IUPAC2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol
SMILESCOCc1nc([C@@H]2CCOC2)cc(N2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C20H26N4O3/c1-26-14-19-21-16(15-6-11-27-13-15)12-20(22-19)24-9-7-23(8-10-24)17-4-2-3-5-18(17)25/h2-5,12,15,25H,6-11,13-14H2,1H3/t15-/m1/s1
InChIKeyOOJZUEPMSIWZAW-OAHLLOKOSA-N
MW370.45 g/mol
LogP2.16
Rot. Bonds5

About 2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol

2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol (PubChem CID 126442787) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol
PubChem CID126442787
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol
SMILESCOCc1nc([C@@H]2CCOC2)cc(N2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C20H26N4O3/c1-26-14-19-21-16(15-6-11-27-13-15)12-20(22-19)24-9-7-23(8-10-24)17-4-2-3-5-18(17)25/h2-5,12,15,25H,6-11,13-14H2,1H3/t15-/m1/s1
InChIKeyOOJZUEPMSIWZAW-OAHLLOKOSA-N
XLogP2.16
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol (CID 126442787) is 2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol is COCc1nc([C@@H]2CCOC2)cc(N2CCN(c3ccccc3O)CC2)n1.
What is the InChIKey of 2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol?
The InChIKey is OOJZUEPMSIWZAW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-14-19-21-16(15-6-11-27-13-15)12-20(22-19)24-9-7-23(8-10-24)17-4-2-3-5-18(17)25/h2-5,12,15,25H,6-11,13-14H2,1H3/t15-/m1/s1.
What are the key properties of 2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol?
2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol has a molecular weight of 370.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol is sourced from PubChem (CID 126442787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).