2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol

C24H31N5O2 — CID 144832012

IUPAC2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
SMILESCOc1ccccc1C(C)C(C)(C)CNc1cc(-c2ccnc(NCCO)c2)ncn1
InChIInChI=1S/C24H31N5O2/c1-17(19-7-5-6-8-21(19)31-4)24(2,3)15-27-23-14-20(28-16-29-23)18-9-10-25-22(13-18)26-11-12-30/h5-10,13-14,16-17,30H,11-12,15H2,1-4H3,(H,25,26)(H,27,28,29)
InChIKeyRXIZTCIYYZQJCD-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.19
Rot. Bonds10

About 2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol

2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol (PubChem CID 144832012) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
PubChem CID144832012
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
SMILESCOc1ccccc1C(C)C(C)(C)CNc1cc(-c2ccnc(NCCO)c2)ncn1
InChIInChI=1S/C24H31N5O2/c1-17(19-7-5-6-8-21(19)31-4)24(2,3)15-27-23-14-20(28-16-29-23)18-9-10-25-22(13-18)26-11-12-30/h5-10,13-14,16-17,30H,11-12,15H2,1-4H3,(H,25,26)(H,27,28,29)
InChIKeyRXIZTCIYYZQJCD-UHFFFAOYSA-N
XLogP4.19
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-[6-[[(2S)-2-(2-methoxyphenyl)propyl]amino]pyrimidin-4-yl]-2-pyridinyl]-N-methylethane-1,2-diamine
CID 118983343
(2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 134288956
6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine
CID 73213572
6-(2-fluoro-4-pyridinyl)-N-[3-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine
CID 123594938
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
CID 123137691
N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine
CID 123375678
2-[[5-[6-[2-(2-methoxyphenyl)propylamino]pyrimidin-4-yl]-2-pyridinyl]amino]propane-1,3-diol
CID 123881772
3-[[5-[6-[[3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propane-1,2-diol
CID 123446986
N'-[5-[6-[[(2S)-2-(2-methoxyphenyl)propyl]amino]pyrimidin-4-yl]-3-pyridinyl]-N-methylethane-1,2-diamine
CID 121440702
N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123915678
N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine
CID 73214354
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol (CID 144832012) is 2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol is COc1ccccc1C(C)C(C)(C)CNc1cc(-c2ccnc(NCCO)c2)ncn1.
What is the InChIKey of 2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is RXIZTCIYYZQJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-17(19-7-5-6-8-21(19)31-4)24(2,3)15-27-23-14-20(28-16-29-23)18-9-10-25-22(13-18)26-11-12-30/h5-10,13-14,16-17,30H,11-12,15H2,1-4H3,(H,25,26)(H,27,28,29).
What are the key properties of 2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol?
2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 421.55 g/mol, XLogP of 4.19, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 144832012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).