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

C14H18N4O — CID 80797368

IUPAC4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCCNc1cc(NCCc2ccc(O)cc2)ncn1
InChIInChI=1S/C14H18N4O/c1-2-15-13-9-14(18-10-17-13)16-8-7-11-3-5-12(19)6-4-11/h3-6,9-10,19H,2,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyCXYGQTWIMZEFET-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.27
Rot. Bonds6

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

4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 80797368) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID80797368
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESCCNc1cc(NCCc2ccc(O)cc2)ncn1
InChIInChI=1S/C14H18N4O/c1-2-15-13-9-14(18-10-17-13)16-8-7-11-3-5-12(19)6-4-11/h3-6,9-10,19H,2,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyCXYGQTWIMZEFET-UHFFFAOYSA-N
XLogP2.27
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol
CID 117084853
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80933216
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117083977
[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide
CID 115264702
6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 115265704

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol (CID 80797368) is 4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol is CCNc1cc(NCCc2ccc(O)cc2)ncn1.
What is the InChIKey of 4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is CXYGQTWIMZEFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-15-13-9-14(18-10-17-13)16-8-7-11-3-5-12(19)6-4-11/h3-6,9-10,19H,2,7-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 80797368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).