2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol

C10H16ClN3O — CID 80664963

IUPAC2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1nc(C)cc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-3-14(4-5-15)7-10-12-8(2)6-9(11)13-10/h6,15H,3-5,7H2,1-2H3
InChIKeyHHGKXVYFALXEOP-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.25
Rot. Bonds5

About 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol

2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol (PubChem CID 80664963) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol
PubChem CID80664963
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1nc(C)cc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-3-14(4-5-15)7-10-12-8(2)6-9(11)13-10/h6,15H,3-5,7H2,1-2H3
InChIKeyHHGKXVYFALXEOP-UHFFFAOYSA-N
XLogP1.25
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]acetamide
CID 103101700
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 80663064
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate
CID 80656944
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
CID 80663537
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615398
2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol
CID 80658221
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
CID 80664465
2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]ethanol
CID 62890436
N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 80655474
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 80663541
2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol
CID 103054105
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol (CID 80664963) is 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol is CCN(CCO)Cc1nc(C)cc(Cl)n1.
What is the InChIKey of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol?
The InChIKey is HHGKXVYFALXEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-3-14(4-5-15)7-10-12-8(2)6-9(11)13-10/h6,15H,3-5,7H2,1-2H3.
What are the key properties of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol?
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-ethylamino]ethanol is sourced from PubChem (CID 80664963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).