2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol

C19H19ClN4O2 — CID 11406086

IUPAC2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol
SMILESCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCO)cc2)nc(N)n1
InChIInChI=1S/C19H19ClN4O2/c1-26-17-7-4-13(20)10-15(17)16-11-18(24-19(21)23-16)22-14-5-2-12(3-6-14)8-9-25/h2-7,10-11,25H,8-9H2,1H3,(H3,21,22,23,24)
InChIKeyIOPACZNKQPNIEN-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.67
Rot. Bonds6

About 2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol

2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol (PubChem CID 11406086) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol
PubChem CID11406086
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol
SMILESCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCO)cc2)nc(N)n1
InChIInChI=1S/C19H19ClN4O2/c1-26-17-7-4-13(20)10-15(17)16-11-18(24-19(21)23-16)22-14-5-2-12(3-6-14)8-9-25/h2-7,10-11,25H,8-9H2,1H3,(H3,21,22,23,24)
InChIKeyIOPACZNKQPNIEN-UHFFFAOYSA-N
XLogP3.67
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]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

6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-aminoacetate
CID 11235689
4-N-(4-chlorophenyl)-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-2,4-diamine
CID 59788248
6-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607106
6-(2,5-dichlorophenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11313962
6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 174775792
6-[5-bromo-2-[(2-methoxyphenoxy)methyl]phenyl]-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 59788238
6-(5-bromo-2-propan-2-yloxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 59788223
6-(5-bromo-2-butoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607220
[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol
CID 86004324
N-[1-[4-[[2-amino-6-(2,5-dichlorophenyl)pyrimidin-4-yl]amino]phenyl]ethylidene]hydroxylamine
CID 74818738
6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935773

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol (CID 11406086) is 2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol is COc1ccc(Cl)cc1-c1cc(Nc2ccc(CCO)cc2)nc(N)n1.
What is the InChIKey of 2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The InChIKey is IOPACZNKQPNIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-26-17-7-4-13(20)10-15(17)16-11-18(24-19(21)23-16)22-14-5-2-12(3-6-14)8-9-25/h2-7,10-11,25H,8-9H2,1H3,(H3,21,22,23,24).
What are the key properties of 2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol?
2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol has a molecular weight of 370.84 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol is sourced from PubChem (CID 11406086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).