[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol

C12H20N4O — CID 113305597

IUPAC[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol
SMILESCN1CCN(C)C(Cc2nccc(CO)n2)C1
InChIInChI=1S/C12H20N4O/c1-15-5-6-16(2)11(8-15)7-12-13-4-3-10(9-17)14-12/h3-4,11,17H,5-9H2,1-2H3
InChIKeyJDTYHZBWDMKVIL-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.24
Rot. Bonds3

About [2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol

[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol (PubChem CID 113305597) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol
PubChem CID113305597
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol
SMILESCN1CCN(C)C(Cc2nccc(CO)n2)C1
InChIInChI=1S/C12H20N4O/c1-15-5-6-16(2)11(8-15)7-12-13-4-3-10(9-17)14-12/h3-4,11,17H,5-9H2,1-2H3
InChIKeyJDTYHZBWDMKVIL-UHFFFAOYSA-N
XLogP-0.24
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol with MolForge

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Related Compounds

4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
CID 115414497
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine
CID 115415733
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 113305593
2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 137011859
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 115415698
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 115415783
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 115415806
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
[2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine
CID 79666220
3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 115415927
[2-(2-methylpropyl)pyrimidin-4-yl]methanol
CID 62747781
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine
CID 115415878

Frequently Asked Questions

What is the IUPAC name of [2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol (CID 113305597) is [2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol is CN1CCN(C)C(Cc2nccc(CO)n2)C1.
What is the InChIKey of [2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol?
The InChIKey is JDTYHZBWDMKVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-5-6-16(2)11(8-15)7-12-13-4-3-10(9-17)14-12/h3-4,11,17H,5-9H2,1-2H3.
What are the key properties of [2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol?
[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol has a molecular weight of 236.32 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 113305597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).