1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate

C19H17ClN4O2 — CID 67365198

IUPAC1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate
SMILESCC(=O)OC(C)c1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1
InChIInChI=1S/C19H17ClN4O2/c1-12(26-13(2)25)18-10-14(6-8-21-18)17-7-9-22-19(24-17)23-16-5-3-4-15(20)11-16/h3-12H,1-2H3,(H,22,23,24)
InChIKeyGFILUWOYEOJBHX-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.56
Rot. Bonds5

About 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate

1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate (PubChem CID 67365198) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate.

Molecular Properties

Compound Name1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate
PubChem CID67365198
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate
SMILESCC(=O)OC(C)c1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1
InChIInChI=1S/C19H17ClN4O2/c1-12(26-13(2)25)18-10-14(6-8-21-18)17-7-9-22-19(24-17)23-16-5-3-4-15(20)11-16/h3-12H,1-2H3,(H,22,23,24)
InChIKeyGFILUWOYEOJBHX-UHFFFAOYSA-N
XLogP4.56
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethanone
CID 67365361
4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 16746118
N-(3-chlorophenyl)-4-[2-(2-propan-2-ylidenehydrazinyl)-4-pyridinyl]pyrimidin-2-amine
CID 142249187
N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
CID 67364353
propan-2-yl 3-[[4-(2-chloro-4-pyridinyl)pyrimidin-2-yl]amino]benzoate
CID 19711154
4-[2-(3-chloroanilino)pyrimidin-4-yl]-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 25122224
4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498
4-[2-(3-chloroanilino)-4-pyridinyl]-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 67389770
1-aminopropan-1-ol;4-[2-(3-chloroanilino)pyrimidin-4-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 19689591
N-(3-chlorophenyl)-4-(4-methoxy-3-nitrophenyl)pyrimidin-2-amine
CID 10247713
2-(3-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316131
N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine
CID 11509378

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate?
The IUPAC name of 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate (CID 67365198) is 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate.
What is the SMILES notation for 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate?
The canonical SMILES for 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate is CC(=O)OC(C)c1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1.
What is the InChIKey of 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate?
The InChIKey is GFILUWOYEOJBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12(26-13(2)25)18-10-14(6-8-21-18)17-7-9-22-19(24-17)23-16-5-3-4-15(20)11-16/h3-12H,1-2H3,(H,22,23,24).
What are the key properties of 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate?
1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate has a molecular weight of 368.82 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate is sourced from PubChem (CID 67365198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).