2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol

C20H29N5O2 — CID 70776511

IUPAC2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2CCO)cc1C
InChIInChI=1S/C20H29N5O2/c1-14-10-16(4-5-18(14)27-3)12-24-7-8-25(13-17(24)6-9-26)19-11-15(2)22-20(21)23-19/h4-5,10-11,17,26H,6-9,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyKGOXKVAEBBUSME-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.76
Rot. Bonds6

About 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 70776511) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID70776511
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2CCO)cc1C
InChIInChI=1S/C20H29N5O2/c1-14-10-16(4-5-18(14)27-3)12-24-7-8-25(13-17(24)6-9-26)19-11-15(2)22-20(21)23-19/h4-5,10-11,17,26H,6-9,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyKGOXKVAEBBUSME-UHFFFAOYSA-N
XLogP1.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 95861110
2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 56888345
2-[4-(1,3-benzoxazol-2-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 70704805
2-[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 95874444
2-[4-[(3,4-difluorophenyl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45188212
2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 28954845
2-[4-(2-aminopyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 70718715
2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 29258024
2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 98575466
2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 98583956
2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28882367
2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol
CID 98771300

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 70776511) is 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol is COc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2CCO)cc1C.
What is the InChIKey of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is KGOXKVAEBBUSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14-10-16(4-5-18(14)27-3)12-24-7-8-25(13-17(24)6-9-26)19-11-15(2)22-20(21)23-19/h4-5,10-11,17,26H,6-9,12-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 371.49 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 70776511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).