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

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

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Related Compounds

2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 119064029
2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 119061228
1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 126438234
[4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 125162220
4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
CID 126446346
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine
CID 118780899
2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
CID 126445987
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126441110
(1S,5R)-3-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 126436849
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126429104
2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 126439671

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).