2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol

C14H19N5O — CID 162636438

IUPAC2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol
SMILESNCCc1ccc(-c2cc(NCCO)nc(N)n2)cc1
InChIInChI=1S/C14H19N5O/c15-6-5-10-1-3-11(4-2-10)12-9-13(17-7-8-20)19-14(16)18-12/h1-4,9,20H,5-8,15H2,(H3,16,17,18,19)
InChIKeyLFBXBMXJKDZXLP-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.63
Rot. Bonds6

About 2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol

2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol (PubChem CID 162636438) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol
PubChem CID162636438
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol
SMILESNCCc1ccc(-c2cc(NCCO)nc(N)n2)cc1
InChIInChI=1S/C14H19N5O/c15-6-5-10-1-3-11(4-2-10)12-9-13(17-7-8-20)19-14(16)18-12/h1-4,9,20H,5-8,15H2,(H3,16,17,18,19)
InChIKeyLFBXBMXJKDZXLP-UHFFFAOYSA-N
XLogP0.63
TPSA110.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 144972199
4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117082432
4-N-(3-aminopropyl)-6-phenylpyrimidine-2,4-diamine
CID 130209355
4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174775661
4-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)pyrimidine-2,4-diamine
CID 90189428
3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91761176
4-N-(4-aminobutyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174851741
2-[[2-amino-6-(2-propylpyrazol-3-yl)pyrimidin-4-yl]amino]ethanol
CID 121499577
4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylphenyl)pyrimidine-2,4-diamine
CID 176893657
6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681479
6-[4-(2-aminoethyl)phenyl]pyridin-2-amine
CID 11310407
2-[(6-aminoquinolin-2-yl)amino]ethanol
CID 43450889

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol (CID 162636438) is 2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol is NCCc1ccc(-c2cc(NCCO)nc(N)n2)cc1.
What is the InChIKey of 2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is LFBXBMXJKDZXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-6-5-10-1-3-11(4-2-10)12-9-13(17-7-8-20)19-14(16)18-12/h1-4,9,20H,5-8,15H2,(H3,16,17,18,19).
What are the key properties of 2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 273.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 162636438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).