2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol

C20H29N5O3 — CID 56888345

IUPAC2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(c3cc(C)nc(N)n3)CC2CCO)cc(OC)c1
InChIInChI=1S/C20H29N5O3/c1-14-8-19(23-20(21)22-14)25-6-5-24(16(13-25)4-7-26)12-15-9-17(27-2)11-18(10-15)28-3/h8-11,16,26H,4-7,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyHQSDVVUDBMWODF-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.46
Rot. Bonds7

About 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 56888345) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID56888345
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(c3cc(C)nc(N)n3)CC2CCO)cc(OC)c1
InChIInChI=1S/C20H29N5O3/c1-14-8-19(23-20(21)22-14)25-6-5-24(16(13-25)4-7-26)12-15-9-17(27-2)11-18(10-15)28-3/h8-11,16,26H,4-7,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyHQSDVVUDBMWODF-UHFFFAOYSA-N
XLogP1.46
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[4-(2-aminopyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 70718715
2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 70776511
2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 95861110
2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-cyclohexylpiperazin-2-yl]ethanol
CID 98771300
2-[(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 98769642
2-[(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 95867165
2-[4-[(3,5-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56883754
2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol
CID 95863076
2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98567856
2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-2-yl]ethanol
CID 95875654
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
CID 98587999
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
CID 98579803

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 56888345) is 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol is COc1cc(CN2CCN(c3cc(C)nc(N)n3)CC2CCO)cc(OC)c1.
What is the InChIKey of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is HQSDVVUDBMWODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-14-8-19(23-20(21)22-14)25-6-5-24(16(13-25)4-7-26)12-15-9-17(27-2)11-18(10-15)28-3/h8-11,16,26H,4-7,12-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 387.48 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 56888345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).