2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol

C13H16N4O2 — CID 53259803

IUPAC2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol
SMILESCOc1cccc(Nc2cc(NCCO)ncn2)c1
InChIInChI=1S/C13H16N4O2/c1-19-11-4-2-3-10(7-11)17-13-8-12(14-5-6-18)15-9-16-13/h2-4,7-9,18H,5-6H2,1H3,(H2,14,15,16,17)
InChIKeyLSYPXYJLWWTMEM-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.63
Rot. Bonds6

About 2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol

2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol (PubChem CID 53259803) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol
PubChem CID53259803
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol
SMILESCOc1cccc(Nc2cc(NCCO)ncn2)c1
InChIInChI=1S/C13H16N4O2/c1-19-11-4-2-3-10(7-11)17-13-8-12(14-5-6-18)15-9-16-13/h2-4,7-9,18H,5-6H2,1H3,(H2,14,15,16,17)
InChIKeyLSYPXYJLWWTMEM-UHFFFAOYSA-N
XLogP1.63
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[6-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]benzoate
CID 112861659
3-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193145
4-N-(3,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861650
4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112863500
N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861757
4-N-(3-bromophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856981
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866173
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861528
4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860263
N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
CID 170189455

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol (CID 53259803) is 2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol is COc1cccc(Nc2cc(NCCO)ncn2)c1.
What is the InChIKey of 2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is LSYPXYJLWWTMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-11-4-2-3-10(7-11)17-13-8-12(14-5-6-18)15-9-16-13/h2-4,7-9,18H,5-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol?
2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 260.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 53259803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).