4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol

C13H15N3O2 — CID 66326603

IUPAC4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
SMILESCOc1cc(NCCc2ccc(O)cc2)ncn1
InChIInChI=1S/C13H15N3O2/c1-18-13-8-12(15-9-16-13)14-7-6-10-2-4-11(17)5-3-10/h2-5,8-9,17H,6-7H2,1H3,(H,14,15,16)
InChIKeyMPIMSJUILNODTH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.85
Rot. Bonds5

About 4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol

4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 66326603) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
PubChem CID66326603
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
SMILESCOc1cc(NCCc2ccc(O)cc2)ncn1
InChIInChI=1S/C13H15N3O2/c1-18-13-8-12(15-9-16-13)14-7-6-10-2-4-11(17)5-3-10/h2-5,8-9,17H,6-7H2,1H3,(H,14,15,16)
InChIKeyMPIMSJUILNODTH-UHFFFAOYSA-N
XLogP1.85
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66319401
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol
CID 117084853
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyrimidin-4-amine
CID 82453669
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol (CID 66326603) is 4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol is COc1cc(NCCc2ccc(O)cc2)ncn1.
What is the InChIKey of 4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is MPIMSJUILNODTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-13-8-12(15-9-16-13)14-7-6-10-2-4-11(17)5-3-10/h2-5,8-9,17H,6-7H2,1H3,(H,14,15,16).
What are the key properties of 4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol?
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 245.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 66326603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).