methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate

C19H18ClN5O2 — CID 70671388

IUPACmethyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate
SMILESCCc1nc(N)nc(-c2ccc(C(=O)OC)c(Cl)c2)c1-c1ccc(N)nc1
InChIInChI=1S/C19H18ClN5O2/c1-3-14-16(11-5-7-15(21)23-9-11)17(25-19(22)24-14)10-4-6-12(13(20)8-10)18(26)27-2/h4-9H,3H2,1-2H3,(H2,21,23)(H2,22,24,25)
InChIKeyPZVYKURKEVZJGQ-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.37
Rot. Bonds4

About methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate

methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate (PubChem CID 70671388) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate.

Molecular Properties

Compound Namemethyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate
PubChem CID70671388
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Namemethyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate
SMILESCCc1nc(N)nc(-c2ccc(C(=O)OC)c(Cl)c2)c1-c1ccc(N)nc1
InChIInChI=1S/C19H18ClN5O2/c1-3-14-16(11-5-7-15(21)23-9-11)17(25-19(22)24-14)10-4-6-12(13(20)8-10)18(26)27-2/h4-9H,3H2,1-2H3,(H2,21,23)(H2,22,24,25)
InChIKeyPZVYKURKEVZJGQ-UHFFFAOYSA-N
XLogP3.37
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate 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 methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate?
The IUPAC name of methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate (CID 70671388) is methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate.
What is the SMILES notation for methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate?
The canonical SMILES for methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate is CCc1nc(N)nc(-c2ccc(C(=O)OC)c(Cl)c2)c1-c1ccc(N)nc1.
What is the InChIKey of methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate?
The InChIKey is PZVYKURKEVZJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-3-14-16(11-5-7-15(21)23-9-11)17(25-19(22)24-14)10-4-6-12(13(20)8-10)18(26)27-2/h4-9H,3H2,1-2H3,(H2,21,23)(H2,22,24,25).
What are the key properties of methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate?
methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate has a molecular weight of 383.84 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate is sourced from PubChem (CID 70671388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).