2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol

C13H23N5O — CID 123159905

IUPAC2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCNC(C)c1cc(N2CCN(CCO)CC2)ncn1
InChIInChI=1S/C13H23N5O/c1-11(14-2)12-9-13(16-10-15-12)18-5-3-17(4-6-18)7-8-19/h9-11,14,19H,3-8H2,1-2H3
InChIKeyCFFRYXKAMMFHQL-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.13
Rot. Bonds5

About 2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 123159905) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID123159905
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCNC(C)c1cc(N2CCN(CCO)CC2)ncn1
InChIInChI=1S/C13H23N5O/c1-11(14-2)12-9-13(16-10-15-12)18-5-3-17(4-6-18)7-8-19/h9-11,14,19H,3-8H2,1-2H3
InChIKeyCFFRYXKAMMFHQL-UHFFFAOYSA-N
XLogP-0.13
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 118720433
1-(6-Methylpyrimidin-4-yl)piperidin-3-amine
CID 54592599
1-(6-Ethylpyrimidin-4-yl)piperidin-3-amine
CID 54593076
6-ethyl-2-(4-morpholinyl)-N-(3,3,3-trifluoropropyl)-4-pyrimidinamine
CID 39767354
2-[(6-Ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide
CID 50968814
N-{2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl}acetamide
CID 50973072
N-(tert-butyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50977646
N-cyclopentyl-N'-(6-ethylpyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 72847596
6-isopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
CID 72851576
1-[(6-Ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72858727
1-[(6-Ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 72886771
6-Ethyl-N-{3-[(1-methylpiperidin-4-YL)oxy]propyl}pyrimidin-4-amine
CID 72927275

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 123159905) is 2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol is CNC(C)c1cc(N2CCN(CCO)CC2)ncn1.
What is the InChIKey of 2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is CFFRYXKAMMFHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-11(14-2)12-9-13(16-10-15-12)18-5-3-17(4-6-18)7-8-19/h9-11,14,19H,3-8H2,1-2H3.
What are the key properties of 2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 265.36 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 123159905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).