[2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol

C12H20N4O — CID 83184289

IUPAC[2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N2CCN(C)C(C)C2)ncc1CO
InChIInChI=1S/C12H20N4O/c1-9-7-16(5-4-15(9)3)12-13-6-11(8-17)10(2)14-12/h6,9,17H,4-5,7-8H2,1-3H3
InChIKeyPJYGQMPXMNJPGC-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.42
Rot. Bonds2

About [2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol

[2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol (PubChem CID 83184289) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
PubChem CID83184289
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(N2CCN(C)C(C)C2)ncc1CO
InChIInChI=1S/C12H20N4O/c1-9-7-16(5-4-15(9)3)12-13-6-11(8-17)10(2)14-12/h6,9,17H,4-5,7-8H2,1-3H3
InChIKeyPJYGQMPXMNJPGC-UHFFFAOYSA-N
XLogP0.42
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83185063
[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol
CID 83184895
[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83183922
[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol
CID 140932759
2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine
CID 63609084
2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine
CID 123999488
[2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83184547
[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81236983
[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 83184365
[2-(3,4-dimethylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 55218131
[4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol
CID 83184186
N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine
CID 83185204

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol (CID 83184289) is [2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol is Cc1nc(N2CCN(C)C(C)C2)ncc1CO.
What is the InChIKey of [2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is PJYGQMPXMNJPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-7-16(5-4-15(9)3)12-13-6-11(8-17)10(2)14-12/h6,9,17H,4-5,7-8H2,1-3H3.
What are the key properties of [2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol?
[2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 236.32 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83184289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).