[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol

C19H19ClN4O2 — CID 10406874

IUPAC[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol
SMILESCCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CO)cc2)nc(N)n1
InChIInChI=1S/C19H19ClN4O2/c1-2-26-17-8-5-13(20)9-15(17)16-10-18(24-19(21)23-16)22-14-6-3-12(11-25)4-7-14/h3-10,25H,2,11H2,1H3,(H3,21,22,23,24)
InChIKeyJLWLMNIZKVKADB-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.01
Rot. Bonds6

About [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol

[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol (PubChem CID 10406874) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol
PubChem CID10406874
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol
SMILESCCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CO)cc2)nc(N)n1
InChIInChI=1S/C19H19ClN4O2/c1-2-26-17-8-5-13(20)9-15(17)16-10-18(24-19(21)23-16)22-14-6-3-12(11-25)4-7-14/h3-10,25H,2,11H2,1H3,(H3,21,22,23,24)
InChIKeyJLWLMNIZKVKADB-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol?
The IUPAC name of [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol (CID 10406874) is [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol.
What is the SMILES notation for [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol?
The canonical SMILES for [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol is CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CO)cc2)nc(N)n1.
What is the InChIKey of [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol?
The InChIKey is JLWLMNIZKVKADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-2-26-17-8-5-13(20)9-15(17)16-10-18(24-19(21)23-16)22-14-6-3-12(11-25)4-7-14/h3-10,25H,2,11H2,1H3,(H3,21,22,23,24).
What are the key properties of [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol?
[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol has a molecular weight of 370.84 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanol is sourced from PubChem (CID 10406874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).