1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol

C14H25N5O — CID 111442513

IUPAC1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCN(c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C14H25N5O/c1-4-12(20)11-18-7-9-19(10-8-18)13-5-6-15-14(16-13)17(2)3/h5-6,12,20H,4,7-11H2,1-3H3
InChIKeyZAMXTDUZSCJPGX-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.44
Rot. Bonds5

About 1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol

1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol (PubChem CID 111442513) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
PubChem CID111442513
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCN(c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C14H25N5O/c1-4-12(20)11-18-7-9-19(10-8-18)13-5-6-15-14(16-13)17(2)3/h5-6,12,20H,4,7-11H2,1-3H3
InChIKeyZAMXTDUZSCJPGX-UHFFFAOYSA-N
XLogP0.44
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol
CID 75470946
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77053306
4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64829856
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166284237
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 154829661
1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 90916352
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 154575829
(2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol
CID 124616946
4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 99792009
1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 64829459
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 56794216
4-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 166605092

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol?
The IUPAC name of 1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol (CID 111442513) is 1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol is CCC(O)CN1CCN(c2ccnc(N(C)C)n2)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol?
The InChIKey is ZAMXTDUZSCJPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-12(20)11-18-7-9-19(10-8-18)13-5-6-15-14(16-13)17(2)3/h5-6,12,20H,4,7-11H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol?
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol has a molecular weight of 279.39 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 111442513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).